⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4406964 | 0.97 | — | — | |
| Phosphine SCHEMBL27852639 | 0.97 | — | — | |
| Heptane SCHEMBL27914439 | 0.81 | L3MBTL1 (0.46) | — | |
| Pyridine SCHEMBL10972834 | 0.75 | NAPRT (0.60) | — | |
| SCHEMBL875880 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6392644 | 0.67 | CYP2A6 (0.45) | — | |
| Water SCHEMBL5213715 | 0.67 | CYP2A6 (0.45) | — | |
| Hydrochloric Acid SCHEMBL6810493 | 0.67 | — | — | |
| SCHEMBL316824 | 0.66 | — | — | |
| SCHEMBL16001319 | 0.66 | LMNA (0.44) | — |
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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | claimed |
| CN-114478550-B | Tricyclic pyrrolo [2,3-d ] pyrimidinone derivative and application thereof | 中国科学院新疆理化技术研究所 | 2023-11-24 | — | — | CN | claimed |
| CN-115611885-A | N-substituted-5- ((4-substituted pyrimidin-2-yl) amino) -1H-indole-2-carboxamide derivatives | 厦门大学 | 2023-01-17 | — | — | CN | claimed |
| CN-114478550-A | Tricyclic pyrrolo [2,3-d ] pyrimidone derivative and application thereof | 中国科学院新疆理化技术研究所 | 2022-05-13 | — | — | CN | claimed |
| EP-1294697-A1 | 1,2,3,5-TETRAHYDROBENZO[C]AZEPIN-4-ONE DERIVATIVES HAVING MUSCARINIC ANTAGONIST ACTIVITY | Muscagen Limited (GB) | 2003-03-26 | — | — | EP | claimed |
| WO-2002006241-A1 | 1, 2, 3, 5 -TETRAHYDROBENZO`C!AZEPIN-4-ONE DERIVATIVES HAVING MUSCARINIC ANTAGONIST ACTIVITY | MUSCAGEN LIMITED (GB) | 2002-01-24 | — | — | WO | claimed |
| EP-1071427-A1 | INTERMITTENT CLAUDICATION THERAPEUTIC DRUGS COMPRISING PYRROLOAZEPINES | SUNTORY LIMITED (JP) | 2001-01-31 | — | — | EP | claimed |
| WO-2000048602-A1 | INTERMITTENT CLAUDICATION THERAPEUTIC DRUGS COMPRISING PYRROLOAZEPINES | SUNTORY LIMITED (JP) | 2000-08-24 | — | — | WO | claimed |
| EP-0465254-B1 | Fused thiophene compounds and uses thereof | YOSHITOMI PHARMACEUTICAL (JP) | 1996-11-13 | — | — | EP | claimed |
| EP-0347766-B1 | 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments | THOMAE GMBH DR K (DE) | 1994-05-25 | — | — | EP | claimed |
| EP-4142874-B1 | PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS | RAQUALIA PHARMA INC (JP) | 2026-04-22 | — | — | EP | disclosed |
| WO-2024125464-A1 | TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF | JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) | 2024-06-20 | — | — | WO | disclosed |
| CN-117946098-A | Pyrimidine PLK1 inhibitor and preparation method and application thereof | 上海深势唯思科技有限责任公司 | 2024-04-30 | — | — | CN | disclosed |
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |
| CN-114478550-B | Tricyclic pyrrolo [2,3-d ] pyrimidinone derivative and application thereof | 中国科学院新疆理化技术研究所 | 2023-11-24 | — | — | CN | disclosed |
| WO-1981000568-A1 | BENZODIAZEPINONES,A PROCESS FOR THEIR PREPARATION,THEIR USE AND MEDICAMENTS CONTAINING THEM | BYK GULDEN LOMBERG CHEM FAB (DE) | 1981-03-05 | — | — | WO | disclosed |
| US-4164580-A | 4H-s-Triazolo[4,3-a][1,5]benzodiazepin-5-ones as tranquilizers | E. R. SQUIBB & SONS, INC. (US) | 1979-08-14 | — | — | US | disclosed |
| US-4164498-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS, TRANQUILIZERS, SEDATIVES, GROWTH PROMOTERS, ANTICONVULSANTS, MUSCLE RELAXANTS | E. R. SQUIBB & SONS, INC. (US) | 1979-08-14 | — | — | US | disclosed |
| US-4133809-A | DEPRESSANTS, TRANQUILIZERS, SEDATIVES, GROWTH PROMOTERS, ANTICONVULSANTS, MUSCLE RELAXANTS | E. R. SQUIBB & SONS, INC. (US) | 1979-01-09 | — | — | US | disclosed |
| US-3987047-A | ANORETICS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-10-19 | — | — | US | disclosed |