⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3817294 | 0.84 | — | — | |
| SCHEMBL22573270 | 0.80 | — | — | |
| SCHEMBL22573267 | 0.69 | — | — | |
| SCHEMBL6916811 | 0.68 | — | — | |
| SCHEMBL2399320 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL19371510 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL28419967 | 0.64 | — | — | |
| SCHEMBL1978761 | 0.63 | — | — | |
| SCHEMBL28428189 | 0.62 | TSHR (0.30) | — | |
| SCHEMBL29308042 | 0.61 | — | — |
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-3497146-A1 | SILANE-FUNCTIONAL POLYMERIC POLYURETHANES | Covestro Deutschland AG (DE) | 2019-06-19 | — | — | EP | disclosed |
| WO-2018029197-A1 | SILANE-FUNCTIONAL POLYMERIC POLYURETHANES | COVESTRO DEUTSCHLAND AG (DE) | 2018-02-15 | — | — | WO | disclosed |