⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31437084 | 0.93 | TSHR (0.50) | — | |
| Pyrazine SCHEMBL1226089 | 0.93 | TSHR (0.50) | — | |
| Pyrazine SCHEMBL5179 | 0.93 | — | — | |
| Pyrazine SCHEMBL8535297 | 0.86 | — | — | |
| Pyrazine SCHEMBL11336378 | 0.86 | — | — | |
| Pyrazine SCHEMBL6268122 | 0.86 | — | — | |
| Pyrazine SCHEMBL2682548 | 0.86 | — | — | |
| Pyrazine SCHEMBL21647787 | 0.86 | — | — | |
| Pyrazine SCHEMBL21176400 | 0.86 | — | — | |
| Pyrazine SCHEMBL10496031 | 0.86 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10098896-B2 | C-17-heteroaryl steroidal CYP17 inhibitors/antiandrogens, in vitro biological activities, pharmacokinetics and antitumor activity | UNIVERSITY OF MARYLAND BALTIMORE (US) | 2018-10-16 | — | — | US | disclosed |
| US-20180036320-A1 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-02-08 | — | — | US | disclosed |
| CN-103608346-B | As the 7-naphthyridine derivatives of hypoxia inducible factor (HIF) hydroxylase inhibitors | 菲布罗根有限公司 | 2016-06-15 | — | — | CN | disclosed |
| US-9295679-B2 | Prodrugs of C-17-heteroaryl steroidal CYP17 inhibitors/antiandrogens: synthesis, in vitro biological activities, pharmacokinetics and antitumor activity | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2016-03-29 | — | — | US | disclosed |
| US-20150174143-A1 | NOVEL PRODRUGS OF C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | UNIVERSITY OF MARYLAND, BALTIMORE | 2015-06-25 | — | — | US | disclosed |
| US-9018198-B2 | Prodrugs of C-17-heteroaryl steroidal CYP17 inhibitors/antiandrogens: synthesis, in vitro biological activities, pharmacokinetics and antitumor activity | UNIVERSITY OF MARYLAND (US) | 2015-04-28 | — | — | US | disclosed |
| EP-2206719-B1 | PHARMACEUTICAL COMPOSITION COMPRISING 3-BETA-HYDROXY-17-(1-H-BENZIMIDAZOLE-1-YL)ANDROSTA-5,16-DIENE | UNIV MARYLAND (US) | 2014-10-22 | — | — | EP | disclosed |
| US-20140288036-A1 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | THE UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2014-09-25 | — | — | US | disclosed |
| US-20140274983-A1 | NOVEL PRODRUGS OF C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2014-09-18 | — | — | US | disclosed |
| CN-103608346-A | Naphthyridine derivatives as inhibitors of hypoxia inducible factor (HIF) hydroxylase | FIBROGEN INC | 2014-02-26 | — | — | CN | disclosed |
| US-20100048524-A1 | Novel C-17-Heteroaryl Steroidal CYP17 Inhibitors/Antiandrogens;Synthesis In Vitro Biological Activities, Pharmacokinetics and Antitumor Activity | UNIVERSITY OF MARYLAND, BALTIMORE | 2010-02-25 | — | — | US | disclosed |
| US-20100048912-A1 | Novel C-17-Heteroaryl Steroidal CYP17 Inhibitors/Antiandrogens, In Vitro Biological Activities, Pharmacokinetics and Antitumor Activity | UNIVERSITY OF MARYLAND, BALTIMORE | 2010-02-25 | — | — | US | disclosed |
| US-20100048914-A1 | Novel C-17-Heteroaryl Steroidal Cyp17 Inhibitors/Antiandrogens, In Vitro Biological Activities, Pharmacokinetics and Antitumor Activity | UNIVERSITY OF MARYLAND, BALTIMORE | 2010-02-25 | — | — | US | disclosed |
| US-20100048913-A1 | Novel C-17-Heteroaryl Steroidal CYP17 Inhibitors/Antiandrogens;Synthesis In Vitro Biological Activities, Pharmacokinetics and Antitumor Activity | UNIVERSITY OF MARYLAND, BALTIMORE | 2010-02-25 | — | — | US | disclosed |
| WO-2009120565-A2 | NOVEL PRODRUGS OF C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2009-10-01 | — | — | WO | disclosed |
| EP-1853619-A4 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | UNIV MARYLAND (US) | 2009-08-26 | — | — | EP | disclosed |
| US-20080280864-A1 | Novel C-17-Heteroaryl Steroidal Cyp17 Inhibitors/Antiandrogens, In Vitro Biological Activities, Pharmacokinetics and Antitumor Activity | UNIVERSITY OF MARYLAND, BALTIMORE | 2008-11-13 | — | — | US | disclosed |
| CN-101107000-A | 3,6-bicyclolides | ENANTA PHARM INC (US) | 2008-01-16 | — | — | CN | disclosed |
| EP-1853619-A1 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | University of Maryland (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006093993-A1 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | UNIVERSITY OF MARYLAND (US) | 2006-09-08 | — | — | WO | disclosed |