⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11226813 | 0.89 | DRD2 (0.30) | — | |
| SCHEMBL11223058 | 0.79 | DRD3 (0.31) | — | |
| SCHEMBL11221698 | 0.78 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL11219928 | 0.78 | NQO2 (0.39) | — | |
| SCHEMBL11230630 | 0.77 | HTR1A (0.38) | — | |
| SCHEMBL11224309 | 0.75 | DRD3 (0.33) | — | |
| SCHEMBL11220136 | 0.71 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL11218556 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL11217338 | 0.69 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL11230729 | 0.69 | PARP1 (0.39) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4352805-A | BENZOXEPINE DERIVATIVES | THE UPJOHN COMPANY (US) | 1982-10-05 | — | — | US | disclosed |
| US-4312868-A | HYPOTENSIVE, ANTIPSYCHOTIC | THE UPJOHN COMPANY (US) | 1982-01-26 | — | — | US | disclosed |
| US-4251526-A | HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC | PHARMACIA & UPJOHN COMPANY | 1981-02-17 | — | — | US | disclosed |
| US-4250175-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | PHARMACIA & UPJOHN COMPANY | 1981-02-10 | — | — | US | disclosed |
| US-4250181-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-02-10 | — | — | US | disclosed |
| US-4247553-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-01-27 | — | — | US | disclosed |
| US-4207239-A | HYPOTENSIVE, ANTIPSYCHOTIC | THE UPJOHN COMPANY (US) | 1980-06-10 | — | — | US | disclosed |
| US-4206123-A | INTERMEDIATES FOR HYPOTENSIVES | MCCALL JOHN M (US) | 1980-06-03 | — | — | US | disclosed |
| US-4181665-A | INTERMEDIATES FOR AMINO DERIVATIVES POSSESSING HYPOTENSIVE AND CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1980-01-01 | — | — | US | disclosed |
| US-4179510-A | ISOCHROMANS AND 2-BENZOXEPINS | THE UPJOHN COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4166062-A | HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-08-28 | — | — | US | disclosed |
| US-4153612-A | 2-Benzoxepins | THE UPJOHN COMPANY (US) | 1979-05-08 | — | — | US | disclosed |