⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11055208 | 0.80 | LTA4H (0.31) | — | |
| SCHEMBL19673975 | 0.78 | LTA4H (0.30) | — | |
| SCHEMBL10219095 | 0.75 | PLG (0.33) | — | |
| SCHEMBL22607232 | 0.75 | — | — | |
| SCHEMBL4725538 | 0.75 | PLG (0.33) | — | |
| SCHEMBL4725540 | 0.75 | PLG (0.33) | — | |
| SCHEMBL12810953 | 0.74 | FDPS (0.44) | — | |
| SCHEMBL6178090 | 0.74 | FDPS (0.44) | — | |
| SCHEMBL19773981 | 0.74 | — | — | |
| SCHEMBL8203610 | 0.74 | CXCR4 (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-5760098-A | FORMING POLYURETHANES FROM POLYISOCYANATES BY CARBAMATE PROMOTED POLYMERIZATION | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-02 | — | — | US | disclosed |
| EP-0758659-A1 | Process for the preparation of low emission polyurethane moulding and composite materials and their use | BAYER AG (DE) | 1997-02-19 | — | — | EP | disclosed |