⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10718724 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL7617825 | 0.64 | — | — | |
| SCHEMBL11497085 | 0.64 | — | — | |
| SCHEMBL29285364 | 0.64 | — | — | |
| SCHEMBL1087683 | 0.64 | — | — | |
| SCHEMBL28012292 | 0.64 | — | — | |
| SCHEMBL28104677 | 0.62 | — | — | |
| SCHEMBL9720494 | 0.60 | — | — | |
| SCHEMBL28357660 | 0.60 | — | — | |
| SCHEMBL6058678 | 0.58 | — | — |
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-0976727-B1 | Polyisocyanate compound, process for producing the same and optical resin materials using the same | HOYA CORP (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6194603-B1 | FOR PRODUCING POLY(THIO)URETHANES; FOR LENSES; REFRACTIVE INDEX, LOW DIEPERSION | HOYA CORPORATION (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-0976727-A1 | Polyisocyanate compound, process for producing the same and optical resin materials using the same | HOYA CORPORATION (JP) | 2000-02-02 | — | — | EP | disclosed |