⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94076 | 0.96 | — | — | |
| Ethane SCHEMBL4159130 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1128238 | 0.92 | — | — | |
| Water SCHEMBL16585832 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4345947 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4345950 | 0.92 | ADH1B (0.33) | — | |
| Bromide SCHEMBL28076047 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8445647 | 0.89 | ADH1B (0.32) | — | |
| Cyclohexane SCHEMBL27230878 | 0.86 | KDM4E (0.37) | — | |
| SCHEMBL4941414 | 0.83 | TSHR (0.43) | — |
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-106255710-B | Polyisocyanate cured product and method for producing polyisocyanate cured product | 旭化成株式会社 | 2019-04-19 | — | — | CN | disclosed |
| CN-106255710-A | Polyisocyanate cured product and method for producing polyisocyanate cured product | 旭化成株式会社 | 2016-12-21 | — | — | CN | disclosed |