⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7415548 | 0.89 | — | — | |
| SCHEMBL7415623 | 0.86 | KDM4E (0.67) | — | |
| SCHEMBL7418108 | 0.85 | — | — | |
| SCHEMBL7964539 | 0.82 | — | — | |
| SCHEMBL7950065 | 0.82 | — | — | |
| SCHEMBL7414921 | 0.81 | POLB (0.59) | — | |
| SCHEMBL7418612 | 0.80 | ESR1 (0.63) | — | |
| SCHEMBL7418609 | 0.79 | MAPT (0.71) | — | |
| SCHEMBL7959634 | 0.78 | — | — | |
| SCHEMBL7420720 | 0.78 | POLB (0.60) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5639760-A | USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE | MARYANOFF BRUCE E (US) | 1997-06-17 | — | — | US | claimed |
| EP-0656002-A1 | 3-OXO-PYRIDO(1,2-A -)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A -)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | MCNEILAB, INC. (US) | 1995-06-07 | — | — | EP | claimed |
| WO-1994004532-A1 | 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | MCNEILAB, INC. (US) | 1994-03-03 | — | — | WO | claimed |
| US-6218384-B1 | FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-04-17 | — | — | US | disclosed |
| WO-1994004532-A1 | 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | MCNEILAB, INC. (US) | 1994-03-03 | — | — | WO | disclosed |