⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29066696 | 0.75 | — | — | |
| SCHEMBL4669536 | 0.73 | — | — | |
| SCHEMBL30390780 | 0.73 | — | — | |
| SCHEMBL1323897 | 0.73 | — | — | |
| SCHEMBL23390656 | 0.70 | — | — | |
| SCHEMBL7190279 | 0.70 | CYP2A6 (0.36) | — | |
| Lithium SCHEMBL7190284 | 0.70 | CYP2A6 (0.36) | — | |
| SCHEMBL22516502 | 0.66 | FAAH (0.30) | — | |
| SCHEMBL24200420 | 0.66 | ALOX5 (0.41) | — | |
| SCHEMBL13751771 | 0.65 | MEN1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3106484-A1 | ORGANIC SEMICONDUCTOR MATERIAL | Toyobo Co., Ltd. (JP) | 2016-12-21 | — | — | EP | disclosed |
| EP-2112184-B1 | BLOCK COPOLYMER AND POLYMER LIGHT-EMITTING DEVICE | SUMITOMO CHEMICAL CO (JP) | 2012-03-28 | — | — | EP | disclosed |
| EP-2110400-B1 | BLOCK COPOLYMER AND POLYMER LIGHT-EMITTING DEVICE | SUMITOMO CHEMICAL CO (JP) | 2011-10-12 | — | — | EP | disclosed |