⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9519124 | 0.77 | — | — | |
| SCHEMBL5643289 | 0.77 | — | — | |
| SCHEMBL10001111 | 0.75 | — | — | |
| SCHEMBL183124 | 0.75 | — | — | |
| SCHEMBL160461 | 0.75 | — | — | |
| SCHEMBL3714178 | 0.73 | — | — | |
| Water SCHEMBL27897235 | 0.73 | — | — | |
| SCHEMBL6050025 | 0.73 | — | — | |
| Water SCHEMBL2308338 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL16378368 | 0.72 | — | — |
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-20210186927-A1 | COMBINATION PRODUCT FOR THE INDUCTION AND/OR MAINTENANCE OF GENERAL ANESTHESIA | TERRAN BIOSCIENCES, INC. | 2021-06-24 | — | — | US | disclosed |
| EP-2123644-B1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-12-17 | — | — | EP | disclosed |
| EP-0690054-B1 | 1-Amino-2-cyclohexene derivatives and production process therefor | KURARAY CO (JP) | 2002-11-20 | — | — | EP | disclosed |
| US-5587486-A | CONDENSATION; CARBONYLATION; HYDROLYSIS; INTERMEDIATES IN THE PRODUCTION OF MEDICINAL AND AGRICULTURAL AGENTS | KURARAY CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0690054-A1 | 1-Amino-2-cyclohexene derivatives and production process therefor | KURARAY CO., LTD. (JP) | 1996-01-03 | — | — | EP | disclosed |