⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4486364 | 0.86 | — | — | |
| SCHEMBL6258110 | 0.85 | DNM1 (0.36) | — | |
| SCHEMBL31314417 | 0.83 | OPRM1 (0.41) | — | |
| Ethylenediamine SCHEMBL7195486 | 0.82 | CYP3A4 (0.35) | — | |
| SCHEMBL17683796 | 0.81 | — | — | |
| SCHEMBL8351515 | 0.81 | — | — | |
| SCHEMBL10730624 | 0.81 | — | — | |
| SCHEMBL49842 | 0.79 | GABBR2 (0.31) | — | |
| SCHEMBL28028441 | 0.79 | GABBR2 (0.31) | — | |
| SCHEMBL7195490 | 0.78 | CA12 (0.40) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113396359-B | Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same | 日产化学株式会社 | 2024-12-17 | — | — | CN | disclosed |
| US-20140171438-A1 | Hybrid Compounds And Methods Of Making And Using The Same | CELLCEUTIX CORPORATION (US) | 2014-06-19 | — | — | US | disclosed |
| US-4025558-A | SPIRO(CYCLOHEXANE-1,1*(2'H)-NAPHTHALENE); BENZOSPIRAN DERIVATIVES; CNS DEPRESSANTS, LOWERS BLOOD PRESSURE | THE UPJOHN COMPANY (US) | 1977-05-24 | — | — | US | disclosed |
| US-4010201-A | AMINOBENZOSPIRANS, CENTRAL NERVOUS SYSTEM DEPRESSANT, HYPOTENSIVE | THE UPJOHN COMPANY (US) | 1977-03-01 | — | — | US | disclosed |
| US-3979444-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES | THE UPJOHN COMPANY (US) | 1976-09-07 | — | — | US | disclosed |
| US-3965180-A | CNS DEPRESSANT | THE UPJOHN COMPANY (US) | 1976-06-22 | — | — | US | disclosed |
| US-3960961-A | 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof | THE UPJOHN COMPANY (US) | 1976-06-01 | — | — | US | disclosed |
| US-3953425-A | Azepine indanyl and tetralin butyrophenones | THE UPJOHN COMPANY (US) | 1976-04-27 | — | — | US | disclosed |
| US-3932425-A | CNS DEPRESSANT, BLOOD PRESSURE LOWERING | THE UPJOHN COMPANY (US) | 1976-01-13 | — | — | US | disclosed |