⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456770 | 0.97 | — | — | |
| Phosphoric Acid SCHEMBL305359 | 0.88 | ALDH1A1 (0.36) | — | |
| Ether SCHEMBL5066675 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL20377293 | 0.80 | TSHR (0.33) | — | |
| Citric Acid SCHEMBL3862968 | 0.80 | ALDH1A1 (0.56) | — | |
| SCHEMBL11671911 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL8939307 | 0.77 | THRB (0.34) | — | |
| SCHEMBL2230834 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL28104919 | 0.76 | — | — | |
| SCHEMBL4735665 | 0.75 | BLM (0.33) | — |
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-109845747-A | A kind of antiseptic paint agent and its preparation and application preventing and treating hickory nut dry rot | 杭州市临安区林业局 | 2019-06-07 | — | — | CN | claimed |
| CN-105008343-B | Alternatively benzothiophene derivative of property ERs degradation agent and combinations thereof | 诺华股份有限公司 | 2017-12-08 | — | — | CN | disclosed |