⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1160110 | 0.73 | — | — | |
| SCHEMBL16628466 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL1046399 | 0.67 | — | — | |
| SCHEMBL821058 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL15262017 | 0.65 | — | — | |
| SCHEMBL29008243 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL49906 | 0.61 | — | — | |
| SCHEMBL31618343 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL29140210 | 0.60 | — | — | |
| SCHEMBL28430945 | 0.58 | CETP (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 |
|---|---|---|---|---|---|---|---|
| US-4464320-A | POLYESTERS, CO2 BLOWING AGENT FROM IN SITU REACTION OF ISOCYANATE WITH PEROXIDE | WHITNEY & COMPANY, INC. (US) | 1984-08-07 | — | — | US | disclosed |
| US-4405538-A | EXOTHERMIC REACTION OF A MIXTURE OF POLYESTER, PEROXY COMPOUND, ISOCYANATE, SURFACTANT AND PROMOTER; SHRINKAGE INHIBITION | WHITNEY & COMPANY, INC. (US) | 1983-09-20 | — | — | US | disclosed |