⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23797172 | 0.88 | CYP3A4 (0.31) | — | |
| SCHEMBL8485976 | 0.87 | — | — | |
| SCHEMBL22444511 | 0.85 | — | — | |
| SCHEMBL3839588 | 0.84 | DNM1 (0.40) | — | |
| SCHEMBL7258991 | 0.82 | — | — | |
| SCHEMBL22444833 | 0.82 | FDPS (0.32) | — | |
| SCHEMBL23797143 | 0.80 | OPRM1 (0.34) | — | |
| SCHEMBL22444452 | 0.79 | FDPS (0.36) | — | |
| SCHEMBL22444508 | 0.79 | FDPS (0.36) | — | |
| SCHEMBL22444492 | 0.79 | FDPS (0.36) | — |
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-4118161-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2023-01-18 | — | — | EP | disclosed |
| WO-2021180709-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | COVESTRO DEUTSCHLAND AG (DE) | 2021-09-16 | — | — | WO | disclosed |
| EP-3878914-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2021-09-15 | — | — | EP | disclosed |