⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17049101 | 0.81 | — | — | |
| SCHEMBL17077967 | 0.78 | — | — | |
| SCHEMBL8863700 | 0.76 | — | — | |
| SCHEMBL9325588 | 0.75 | — | — | |
| SCHEMBL13974149 | 0.66 | — | — | |
| SCHEMBL13963806 | 0.63 | — | — | |
| SCHEMBL28032664 | 0.61 | — | — | |
| SCHEMBL6440692 | 0.61 | — | — | |
| SCHEMBL10346013 | 0.60 | — | — | |
| SCHEMBL16401067 | 0.60 | SLC6A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100506873-C | Radiation cured polyurethanes with capped amino groups | BASF AG (DE) | 2009-07-01 | — | — | CN | disclosed |
| EP-0929585-A1 | CATALYSTS | TIOXIDE SPECIALTIES LIMITED (GB) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998015585-A1 | CATALYSTS | TIOXIDE SPECIALTIES LIMITED (GB) | 1998-04-16 | — | — | WO | disclosed |
| US-4138545-A | MOISTURE CURING WITH POLYISOCYANATES | ROHM AND HAAS COMPANY (US) | 1979-02-06 | — | — | US | disclosed |