⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23368723 | 0.82 | — | — | |
| SCHEMBL19190042 | 0.82 | — | — | |
| SCHEMBL24678610 | 0.78 | NAAA (0.30) | — | |
| SCHEMBL10151487 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL24548576 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL19733070 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL24245854 | 0.74 | — | — | |
| SCHEMBL9604150 | 0.74 | ALDH1A1 (0.53) | — | |
| SCHEMBL19190043 | 0.73 | — | — | |
| SCHEMBL17227777 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220195117-A1 | SELF-BLOWING ISOCYANATE-FREE POLYURETHANE FOAMS | UNIVERSITE DE LIEGE (BE) | 2022-06-23 | — | — | US | disclosed |
| WO-2020260488-A1 | PROCESS FOR REPAIRING KERATIN FIBERS USING A PARTICULAR CYCLIC POLYCARBONATE AND AN AMINO SILICONE AND USES | L'OREAL (FR) | 2020-12-30 | — | — | WO | disclosed |
| WO-2020260486-A1 | PROCESS FOR DYEING KERATIN FIBERS USING A PARTICULAR CYCLIC POLYCARBONATE, A COMPOUND COMPRISING AT LEAST ONE AMINE GROUP AND A COLORING AGENT, COMPOSITION AND DEVICE | L'OREAL (FR) | 2020-12-30 | — | — | WO | disclosed |