⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10744608 | 0.73 | GABRA1 (0.41) | — | |
| SCHEMBL583613 | 0.69 | GABRA1 (0.42) | — | |
| SCHEMBL583614 | 0.67 | GABRA1 (0.41) | — | |
| SCHEMBL4087408 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL9742455 | 0.60 | CYP3A4 (0.48) | — | |
| Perchlorobenzene SCHEMBL8872243 | 0.60 | ALDH1A1 (0.50) | — | |
| Perchlorobenzene SCHEMBL26562 | 0.60 | ALDH1A1 (0.50) | — | |
| Perchlorobenzene SCHEMBL1330781 | 0.60 | ALDH1A1 (0.50) | — | |
| SCHEMBL11224762 | 0.59 | — | — | |
| SCHEMBL14273435 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084304-A | Heat resistant coating applied to a metal, a heat resistant material polymer such as a blend of a polyesterimide, a polyhydantoin, a polyamide, a polyamideimide copolymer and a polybismaleimide | BASF LACKE & FARBEN AG (DE) | 1992-01-28 | — | — | US | disclosed |