⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2632037 | 1.00 | — | — | |
| SCHEMBL24428723 | 1.00 | — | — | |
| SCHEMBL13162563 | 0.88 | CHRNB2 (0.47) | — | |
| SCHEMBL5229098 | 0.88 | CHRNB2 (0.47) | — | |
| SCHEMBL13162559 | 0.88 | CHRNB2 (0.47) | — | |
| SCHEMBL91544 | 0.86 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL1224660 | 0.86 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4432611 | 0.86 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL1224656 | 0.86 | CHRNB2 (0.46) | — | |
| SCHEMBL17706204 | 0.83 | CHRNB2 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103987687-B | Optical resolution method of bicyclic compound using asymmetric catalyst | DAIICHI SANKYO Co.,Ltd. (JP) | 2015-12-02 | — | — | CN | claimed |
| WO-2018064557-A1 | SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS | Epizyme, Inc. (US) | 2018-04-05 | — | — | WO | disclosed |
| CN-103987687-B | Optical resolution method of bicyclic compound using asymmetric catalyst | DAIICHI SANKYO Co.,Ltd. (JP) | 2015-12-02 | — | — | CN | disclosed |
| CN-103987687-A | Optical resolution method of bicyclic compound using asymmetric catalyst | DAIICHI SANKYO CO LTD | 2014-08-13 | — | — | CN | disclosed |