⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18573107 | 0.87 | RARB (0.36) | — | |
| SCHEMBL19794375 | 0.82 | RARG (0.40) | — | |
| SCHEMBL19794437 | 0.79 | LDHA (0.42) | — | |
| SCHEMBL18573262 | 0.75 | PGR (0.35) | — | |
| SCHEMBL18573101 | 0.72 | RARB (0.36) | — | |
| SCHEMBL18573199 | 0.70 | CHRNB2 (0.34) | — | |
| SCHEMBL23369400 | 0.70 | DGAT1 (0.35) | — | |
| SCHEMBL19933558 | 0.70 | LDHA (0.50) | — | |
| SCHEMBL19794436 | 0.70 | RARG (0.47) | — | |
| SCHEMBL19794374 | 0.69 | RARB (0.46) | — |
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-2017032439-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-03-02 | — | — | WO | disclosed |