⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28181515 | 1.00 | — | — | |
| SCHEMBL1477620 | 1.00 | — | — | |
| SCHEMBL5900987 | 1.00 | — | — | |
| SCHEMBL5611394 | 0.95 | — | — | |
| SCHEMBL1528422 | 0.93 | — | — | |
| SCHEMBL4945480 | 0.93 | — | — | |
| SCHEMBL49906 | 0.85 | — | — | |
| SCHEMBL15262017 | 0.83 | — | — | |
| SCHEMBL28430945 | 0.81 | CETP (0.33) | — | |
| SCHEMBL3280784 | 0.80 | — | — |
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-5362834-A | Reaction products of polyisocyanates and mixture of polyols having specific hydroxyl number ranges; pressure distribution elements | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-08 | — | — | US | disclosed |