⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11769674 | 0.89 | CYP2C19 (0.31) | — | |
| SCHEMBL11869383 | 0.78 | MAPK1 (0.31) | — | |
| SCHEMBL6063404 | 0.76 | CYP2C19 (0.31) | — | |
| SCHEMBL2466738 | 0.76 | CYP2C19 (0.39) | — | |
| SCHEMBL517571 | 0.76 | — | — | |
| SCHEMBL11664080 | 0.76 | CYP2C19 (0.38) | — | |
| SCHEMBL4552263 | 0.74 | PLG (0.40) | — | |
| SCHEMBL11634222 | 0.72 | CYP2C19 (0.50) | — | |
| SCHEMBL16151058 | 0.72 | CYP2C19 (0.45) | — | |
| Hydrochloric Acid SCHEMBL4413231 | 0.72 | PLG (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4772658-A | ADDITION POLYMERIZATION, POLYISOCYANATE-UNSATURATED ALCOHOL ADDUCT, POLYURETHANES, MOLDINGS | THE DOW CHEMICAL COMPANY (US) | 1988-09-20 | — | — | US | disclosed |