⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7541204 | 0.83 | — | — | |
| SCHEMBL4812685 | 0.73 | CYP1A2 (0.30) | — | |
| SCHEMBL25124206 | 0.72 | — | — | |
| SCHEMBL22563344 | 0.71 | HTT (0.32) | — | |
| SCHEMBL18827428 | 0.70 | — | — | |
| SCHEMBL11770562 | 0.70 | HCAR3 (0.36) | — | |
| SCHEMBL2553769 | 0.68 | — | — | |
| SCHEMBL10002572 | 0.67 | SLC9A1 (0.50) | — | |
| SCHEMBL8016458 | 0.66 | HTT (0.37) | — | |
| SCHEMBL7942980 | 0.65 | — | — |
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-6162575-A | Process for making lithographic printing plate | MITSUBISHI PAPER MILLS LIMITED (JP) | 2000-12-19 | — | — | US | disclosed |