⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7760491 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL29728736 | 0.72 | — | — | |
| SCHEMBL39900 | 0.71 | CYP17A1 (0.40) | — | |
| SCHEMBL15840339 | 0.71 | — | — | |
| SCHEMBL29117891 | 0.71 | — | — | |
| SCHEMBL17190131 | 0.71 | — | — | |
| SCHEMBL13370883 | 0.70 | HPGD (0.30) | — | |
| SCHEMBL10796794 | 0.68 | — | — | |
| SCHEMBL20090800 | 0.68 | — | — | |
| SCHEMBL685705 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0990666-B1 | Emulsion polymerised copolymers with cyclic or polycyclic monomers with higher glass transition temperature | CONSORTIUM ELEKTROCHEM IND (DE) | 2001-06-06 | — | — | EP | claimed |