⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL11205969 | 0.88 | KDM4E (0.33) | — | |
| Pyridine SCHEMBL11209411 | 0.86 | NPC1 (0.30) | — | |
| Pyridine SCHEMBL11205049 | 0.84 | CYP17A1 (0.38) | — | |
| Pyridine SCHEMBL11210901 | 0.81 | LMNA (0.32) | — | |
| Pyridine SCHEMBL11203406 | 0.80 | CYP2D6 (0.34) | — | |
| SCHEMBL11214200 | 0.79 | CYP2A6 (0.36) | — | |
| Pyridine SCHEMBL11213166 | 0.77 | KDM4E (0.32) | — | |
| Pyridine SCHEMBL11569993 | 0.75 | KDM4E (0.33) | — | |
| Pyridine SCHEMBL11212974 | 0.74 | CYP2D6 (0.36) | — | |
| Pyridine SCHEMBL11204444 | 0.74 | KDM4E (0.32) | — |
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-0003897-B1 | PHOSPHINEGOLD(I)SALTS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1983-05-25 | — | — | EP | disclosed |