⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9561 | 0.84 | — | — | |
| SCHEMBL20873649 | 0.81 | — | — | |
| SCHEMBL11592437 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL11569555 | 0.66 | CHRNB2 (0.31) | — | |
| SCHEMBL21903241 | 0.65 | — | — | |
| SCHEMBL4655343 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL97935 | 0.61 | — | — | |
| SCHEMBL9575088 | 0.60 | — | — | |
| Methyl Alcohol SCHEMBL16432335 | 0.60 | — | — | |
| SCHEMBL6293924 | 0.58 | TSHR (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104030969-B | Oxime ester compound, photopolymerization initiator, photopolymerizable composition, color filter, and liquid crystal display device | 三菱化学株式会社 | 2016-09-07 | — | — | CN | disclosed |