⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1203240 | 0.79 | ALOX15 (0.50) | — | |
| SCHEMBL9679886 | 0.79 | — | — | |
| SCHEMBL7664573 | 0.77 | — | — | |
| SCHEMBL3333830 | 0.77 | — | — | |
| SCHEMBL28173615 | 0.77 | — | — | |
| SCHEMBL3289896 | 0.77 | — | — | |
| SCHEMBL11522989 | 0.75 | ALOX15 (0.46) | — | |
| SCHEMBL1803267 | 0.75 | — | — | |
| SCHEMBL9063994 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL9563960 | 0.73 | ALDH1A1 (0.46) | — |
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-1183296-A1 | METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD | Gemoplast Société Anonyme (FR) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000075213-A1 | METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD | GEMOPLAST (SOCIETE ANONYME) (FR) | 2000-12-14 | — | — | WO | disclosed |