⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5699359 | 0.70 | HSD17B10 (0.33) | — | |
| SCHEMBL9497562 | 0.70 | HSD17B10 (0.33) | — | |
| SCHEMBL6929495 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL2422140 | 0.69 | — | — | |
| SCHEMBL9501407 | 0.67 | HSD17B10 (0.35) | — | |
| SCHEMBL28027641 | 0.67 | — | — | |
| SCHEMBL15912641 | 0.67 | HSD17B10 (0.31) | — | |
| SCHEMBL8441561 | 0.66 | CA1 (0.33) | — | |
| SCHEMBL2097461 | 0.66 | CA1 (0.33) | — | |
| SCHEMBL19360695 | 0.65 | — | — |
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-0406618-B1 | Process for the preparation of 1,5 naphtylene diisocyanate having urea and biuret groups | BAYER AG (DE) | 1994-06-01 | — | — | EP | disclosed |
| US-5159046-A | Modified 1,5-naphthalene diisocyanate containing urea and biuret groups; using water and organic solvent mixture | BAYER AKTIENGESELLSCHAFT (DE) | 1992-10-27 | — | — | US | disclosed |
| EP-0406618-A2 | Process for the preparation of 1,5 naphtylene diisocyanate having urea and biuret groups | BAYER AG (DE) | 1991-01-09 | — | — | EP | disclosed |