⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22689029 | 0.65 | CHRM2 (0.30) | — | |
| SCHEMBL12074482 | 0.63 | — | — | |
| SCHEMBL7753133 | 0.62 | — | — | |
| SCHEMBL7757287 | 0.62 | — | — | |
| SCHEMBL3686670 | 0.62 | — | — | |
| SCHEMBL11115020 | 0.61 | SLC22A2 (0.31) | — | |
| SCHEMBL22758960 | 0.59 | — | — | |
| SCHEMBL24587097 | 0.58 | SLC22A2 (0.30) | — | |
| SCHEMBL24616957 | 0.58 | — | — | |
| SCHEMBL18499598 | 0.58 | — | — |
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-20170297992-A1 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | GIVAUDAN S.A. (CH) | 2017-10-19 | — | — | US | disclosed |