⚠ 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 SCHEMBL10925085 | 0.65 | — | — | |
| SCHEMBL9934265 | 0.64 | — | — | |
| SCHEMBL29824923 | 0.63 | — | — | |
| SCHEMBL83826 | 0.60 | — | — | |
| SCHEMBL4789244 | 0.58 | — | — | |
| SCHEMBL30196030 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL27782796 | 0.58 | — | — | |
| SCHEMBL29068297 | 0.58 | — | — | |
| SCHEMBL538494 | 0.57 | — | — | |
| SCHEMBL9653572 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995033734-A1 | SUBSTITUTED DIBENZOXAZEPINE AND DIBENZTHIAZEPINE CARBAMATES USEFUL AS PROSTAGLANDIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1995-12-14 | — | — | WO | claimed |
| WO-2022237890-A1 | AZEPINE-TYPE FUSED RING COMPOUND AND PHARMACEUTICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2022-11-17 | — | — | WO | disclosed |
| EP-2814830-A1 | TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR | F.HOFFMANN-LA ROCHE AG (CH) | 2014-12-24 | — | — | EP | disclosed |
| WO-2013120980-A1 | TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2013-08-22 | — | — | WO | disclosed |
| WO-2007064316-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-07 | — | — | WO | disclosed |