⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7831789 | 0.73 | — | — | |
| SCHEMBL7835360 | 0.67 | GPR35 (0.35) | — | |
| SCHEMBL7776016 | 0.66 | — | — | |
| SCHEMBL15834803 | 0.65 | GPR3 (0.30) | — | |
| SCHEMBL5041004 | 0.64 | — | — | |
| SCHEMBL15968111 | 0.55 | — | — | |
| SCHEMBL11863869 | 0.54 | GPR3 (0.54) | — | |
| SCHEMBL29498218 | 0.54 | — | — | |
| SCHEMBL21858330 | 0.53 | KMT2A (0.58) | — | |
| SCHEMBL20858621 | 0.53 | CYP2A6 (0.38) | — |
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-1090920-A1 | CEPHEM COMPOUNDS | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 2001-04-11 | — | — | EP | disclosed |