⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL20723602 | 1.00 | — | — | |
| Urea SCHEMBL6896912 | 0.96 | ALDH1A1 (0.53) | — | |
| Urea SCHEMBL9807739 | 0.96 | ALDH1A1 (0.53) | — | |
| Urea SCHEMBL36081 | 0.96 | — | — | |
| Urea SCHEMBL4966707 | 0.92 | — | — | |
| Urea SCHEMBL11264197 | 0.92 | ALDH1A1 (0.50) | — | |
| Urea SCHEMBL28255934 | 0.92 | — | — | |
| Urea SCHEMBL28325306 | 0.92 | — | — | |
| Butadiene SCHEMBL1696559 | 0.89 | ALDH1A1 (0.47) | — | |
| Urea SCHEMBL9654718 | 0.89 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001092240-A1 | NOVEL N-SUBSTITUTED PHENOTHIAZINES AND THEIR USE AS MODULATORS OF SERINE HYDROLASE ENZYMES | DALHOUSIE UNIVERSITY (CA) | 2001-12-06 | — | — | WO | disclosed |