⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4558026 | 1.00 | MAPT (0.42) | — | |
| Hydrochloric Acid SCHEMBL30282892 | 0.97 | — | — | |
| Acetic Acid SCHEMBL8013671 | 0.85 | NAPRT (0.44) | — | |
| SCHEMBL20525130 | 0.67 | — | — | |
| SCHEMBL7682390 | 0.67 | — | — | |
| SCHEMBL21358014 | 0.65 | LMNA (0.46) | — | |
| Quinoxaline SCHEMBL10462492 | 0.62 | ALDH1A1 (0.50) | — | |
| SCHEMBL130113 | 0.62 | — | — | |
| SCHEMBL8909638 | 0.62 | — | — | |
| SCHEMBL31437084 | 0.61 | TSHR (0.50) | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4838934-B2 | — | — | 2011-12-14 | — | — | JP | claimed |
| EP-1044197-B1 | PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS | ASTELLAS PHARMA GMBH (DE) | 2006-04-19 | — | — | EP | claimed |
| EP-1060163-A1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | Klinge Pharma GmbH (DE) | 2000-12-20 | — | — | EP | claimed |
| EP-1044197-A2 | NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | Klinge Pharma GmbH (DE) | 2000-10-18 | — | — | EP | claimed |
| EP-1042291-A1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | Klinge Pharma GmbH (DE) | 2000-10-11 | — | — | EP | claimed |
| WO-1999031063-A1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | claimed |
| WO-1999031064-A1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | claimed |
| WO-1999031060-A2 | PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | claimed |
| US-5013836-A | Process for methylating a hindered nitrogen atom in a polysubstituted diazacycloalkan-2-one | THE B. F. GOODRICH COMPANY (US) | 1991-05-07 | — | — | US | claimed |
| CN-114072397-B | Heteroaryl aminopyrimidinamide autophagy inhibitors and methods of use thereof | 德西费拉制药有限责任公司 | 2025-03-28 | — | — | CN | disclosed |
| CN-115703765-B | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2025-02-28 | — | — | CN | disclosed |
| CN-117980294-A | Ubiquitin-specific protease 1 (USP 1) inhibitors | 海南先声再明医药股份有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-117800972-A | Chemical synthesis method of klebsiella toxin Tilimycin | 南京大学 | 2024-04-02 | — | — | CN | disclosed |
| WO-2024012519-A1 | PAN-KRAS INHIBITOR | 北京华森英诺生物科技有限公司 | 2024-01-18 | — | — | WO | disclosed |
| EP-0817635-A1 | USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM | WARNER-LAMBERT COMPANY LLC (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1997016430-A1 | HEXAHYDRO-5-IMINO-1,4-HETEROAZEPINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASES | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |
| WO-1996029077-A1 | USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM | WARNER-LAMBERT COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |
| US-5026845-A | 1,4-diazabicyclo[3.2.2.]nonane and intermediates for the preparation thereof | FRIEDMANN ROBERT C (US) | 1991-06-25 | — | — | US | disclosed |
| US-5013836-A | Process for methylating a hindered nitrogen atom in a polysubstituted diazacycloalkan-2-one | THE B. F. GOODRICH COMPANY (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0366301-A2 | Preparation of 1,4-diazabicyclo [3.2.2]nonane | PFIZER INC. (US) | 1990-05-02 | — | — | EP | disclosed |