⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL180669 | 1.00 | ALDH1A1 (0.62) | — | |
| SCHEMBL28586480 | 0.81 | — | — | |
| SCHEMBL30818310 | 0.79 | TDP1 (0.35) | — | |
| SCHEMBL27502108 | 0.79 | — | — | |
| Formaldehyde SCHEMBL28138569 | 0.79 | — | — | |
| SCHEMBL1598829 | 0.79 | TDP1 (0.35) | — | |
| SCHEMBL14855 | 0.79 | — | — | |
| SCHEMBL20661241 | 0.79 | ALDH1A1 (1.00) | — | |
| SCHEMBL1331930 | 0.79 | — | — | |
| SCHEMBL322832 | 0.79 | ALDH1A1 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119060398-A | Intrinsic flame-retardant polypropylene foam material and preparation method thereof | 浙江新恒泰新材料股份有限公司 | 2024-12-03 | — | — | CN | claimed |
| CN-119060398-A | Intrinsic flame-retardant polypropylene foam material and preparation method thereof | 浙江新恒泰新材料股份有限公司 | 2024-12-03 | — | — | CN | disclosed |
| EP-0271679-A2 | Isocyanates derived from dienes and process and their preparation | AMERICAN CYANAMID COMPANY (US) | 1988-06-22 | — | — | EP | disclosed |