⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8313465 | 0.77 | — | — | |
| SCHEMBL15030959 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL8085087 | 0.72 | KDM4E (0.42) | — | |
| SCHEMBL791667 | 0.65 | — | — | |
| SCHEMBL18021729 | 0.64 | ALOX15 (0.49) | — | |
| SCHEMBL12189091 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL4141025 | 0.62 | TYR (0.64) | — | |
| SCHEMBL12168966 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL9372906 | 0.62 | — | — | |
| SCHEMBL12987762 | 0.61 | ALDH2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9265767-B2 | 1,2-disubstituted heterocyclic compounds | FORUM PHARMACEUTICALS INC. (US) | 2016-02-23 | — | — | US | disclosed |
| US-20150274706-A1 | 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS | FMR LLC | 2015-10-01 | — | — | US | disclosed |
| US-20140011808-A1 | 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS | FMR LLC | 2014-01-09 | — | — | US | disclosed |
| US-8071595-B2 | 1,2-disubstituted heterocyclic compounds | ENVIVO PHARMACEUTICALS, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| EP-0195743-B1 | ENOL ETHERS, PROCESS FOR THEIR PREPARATION, ALPHA-PYRONES, PROCESS FOR THEIR PREPARATION AND USE OF THE ALPHA-PYRONES | CIBA-GEIGY AG (CH) | 1990-08-01 | — | — | EP | disclosed |