⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170911 | 0.81 | — | — | |
| SCHEMBL562401 | 0.69 | — | — | |
| SCHEMBL14551499 | 0.69 | — | — | |
| SCHEMBL278709 | 0.68 | — | — | |
| SCHEMBL20145103 | 0.67 | MAPK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8752911 | 0.67 | ODC1 (0.33) | — | |
| SCHEMBL2486901 | 0.66 | — | — | |
| SCHEMBL24116097 | 0.66 | — | — | |
| SCHEMBL21578095 | 0.66 | ALDH1A1 (0.45) | — | |
| SCHEMBL10897059 | 0.65 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0527613-A2 | Preparation of foams using polyfunctional organic acids | Huntsman Corporation (US) | 1993-02-17 | — | — | EP | claimed |
| US-5093382-A | Polyamideether copolymers; generated carbon dioxide blowing agent | TEXACO CHEMICAL COMPANY (US) | 1992-03-03 | — | — | US | claimed |