⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169547 | 0.97 | — | — | |
| Alcohol SCHEMBL27897902 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL28958957 | 0.73 | — | — | |
| SCHEMBL13702463 | 0.72 | FFAR3 (0.43) | — | |
| SCHEMBL29122656 | 0.71 | FFAR3 (0.30) | — | |
| SCHEMBL586696 | 0.71 | — | — | |
| SCHEMBL7228687 | 0.69 | — | — | |
| SCHEMBL1178505 | 0.69 | — | — | |
| Pyruvate SCHEMBL10583422 | 0.67 | — | — | |
| SCHEMBL17581090 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107400381-A | The special titanium dioxide process of Masterbatch | 中钛化工集团有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-107383941-A | The special titanium dioxide process of chemical fibre | 中钛化工集团有限公司 | 2017-11-24 | — | — | CN | claimed |