⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19021593 | 0.73 | — | — | |
| SCHEMBL16411674 | 0.71 | — | — | |
| SCHEMBL20143617 | 0.68 | — | — | |
| SCHEMBL8384584 | 0.66 | INPP5A (0.32) | — | |
| SCHEMBL8384588 | 0.66 | INPP5A (0.32) | — | |
| SCHEMBL18685166 | 0.66 | — | — | |
| SCHEMBL24703536 | 0.65 | — | — | |
| SCHEMBL22015671 | 0.65 | — | — | |
| SCHEMBL14295531 | 0.65 | — | — | |
| SCHEMBL13389027 | 0.62 | CYP2D6 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3625280-A1 | POLYISOCYANATE (P) AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2020-03-25 | — | — | EP | claimed |
| WO-2018210592-A1 | POLYISOCYANATE (P) AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2018-11-22 | — | — | WO | claimed |
| WO-2018095869-A1 | METHOD FOR PRODUCING TRIMERIC ISOCYANATES | BASF SE (DE) | 2018-05-31 | — | — | WO | disclosed |