⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23797202 | 0.97 | NAAA (0.30) | — | |
| SCHEMBL16949970 | 0.97 | NAAA (0.30) | — | |
| SCHEMBL23797197 | 0.97 | NAAA (0.30) | — | |
| SCHEMBL23797155 | 0.97 | NAAA (0.30) | — | |
| SCHEMBL23797152 | 0.97 | NAAA (0.30) | — | |
| SCHEMBL4670611 | 0.95 | NAAA (0.30) | — | |
| SCHEMBL481657 | 0.92 | NAAA (0.31) | — | |
| SCHEMBL8958287 | 0.90 | NAAA (0.30) | — | |
| SCHEMBL11609169 | 0.90 | NAAA (0.30) | — | |
| SCHEMBL23797176 | 0.89 | TSHR (0.41) | — |
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 4 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 |
| CN-115190904-A | Use of specific open-chain ether isocyanates | 科思创德国股份有限公司 | 2022-10-14 | — | — | CN | 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 |