⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8328456 | 1.00 | — | — | |
| SCHEMBL2662411 | 1.00 | — | — | |
| Water SCHEMBL28199554 | 0.98 | CYP1A2 (0.55) | — | |
| SCHEMBL12932566 | 0.98 | CYP1A2 (0.61) | — | |
| Iodide SCHEMBL4422616 | 0.98 | CYP1A2 (0.55) | — | |
| Hydrochloric Acid SCHEMBL27337129 | 0.98 | CYP1A2 (0.55) | — | |
| Bromide SCHEMBL11542091 | 0.98 | CYP1A2 (0.55) | — | |
| Cyanide SCHEMBL30212639 | 0.93 | CYP1A2 (0.52) | — | |
| SCHEMBL10206077 | 0.92 | — | — | |
| SCHEMBL294017 | 0.92 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |
| WO-2022087371-A1 | NOVEL BICYCLIC COMPOUNDS | SPECTRUM PHARMACEUTICALS, INC. (US) | 2022-04-28 | — | — | WO | disclosed |
| US-11040954-B1 | CXCR3 receptor agonists | RECEPTOS LLC (US) | 2021-06-22 | — | — | US | disclosed |
| US-20190345133-A1 | CXCR3 RECEPTOR AGONISTS | RECEPTOS LLC | 2019-11-14 | — | — | US | disclosed |
| EP-2961751-B1 | 1,6- DIAZABICYCLO [3,2,1]OCTAN- 7- ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | WOCKHARDT LTD (IN) | 2018-03-21 | — | — | EP | disclosed |
| US-20160333011-A1 | TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS | GENENTECH, INC. (US) | 2016-11-17 | — | — | US | disclosed |
| US-20160024089-A1 | TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS | GENENTECH, INC. (US) | 2016-01-28 | — | — | US | disclosed |
| US-8889673-B2 | Triazolopyridine JAK inhibitor compounds and methods | GENENTECH, INC. (US) | 2014-11-18 | — | — | US | disclosed |
| US-20140038939-A1 | TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS | GENENTECH, INC. (US) | 2014-02-06 | — | — | US | disclosed |
| US-20130123277-A1 | PYRIDO[3,4-B]INDOLES AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-20120264747-A1 | TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS | ZHU BING-YAN (US) | 2012-10-18 | — | — | US | disclosed |
| US-20120225855-A1 | TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS | ZHU BING-YAN (US) | 2012-09-06 | — | — | US | disclosed |
| US-20100076015-A1 | Aminopyridine Derivatives | VANTIA LIMITED (GB) | 2010-03-25 | — | — | US | disclosed |
| US-20100048557-A1 | Triazolopyridine JAK Inhibitor Compounds and Methods | GENENTECH, INC. | 2010-02-25 | — | — | US | disclosed |
| US-7442795-B2 | Triazole compounds useful in therapy | PFIZER INC. (US) | 2008-10-28 | — | — | US | disclosed |
| WO-2004074291-A1 | TRIAZOLE COMPOUNDS USEFUL IN THERAPY | PFIZER LIMITED (GB) | 2004-09-02 | — | — | WO | disclosed |