⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21799341 | 0.70 | ALOX15 (0.33) | — | |
| SCHEMBL29234772 | 0.68 | LMNA (0.34) | — | |
| SCHEMBL1879048 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL1877913 | 0.64 | ALDH1A1 (0.54) | — | |
| SCHEMBL14445220 | 0.62 | ALDH1A1 (0.56) | — | |
| SCHEMBL793641 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL891773 | 0.61 | CPA1 (0.42) | — | |
| SCHEMBL8971224 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL2878558 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL356446 | 0.59 | ALDH1A1 (0.39) | — |
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-5773543-A | FOR FREE RADICAL INITIATED POLYMERIZATION OF UNSATURATED SPECIES; MOLECULAR WEIGHT CONTROL | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1998-06-30 | — | — | US | disclosed |