⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16510890 | 0.70 | — | — | |
| SCHEMBL11940479 | 0.67 | — | — | |
| SCHEMBL16418024 | 0.65 | — | — | |
| SCHEMBL240911 | 0.62 | USP2 (0.31) | — | |
| SCHEMBL11940484 | 0.61 | — | — | |
| SCHEMBL10971035 | 0.60 | — | — | |
| SCHEMBL402865 | 0.60 | — | — | |
| SCHEMBL15786357 | 0.60 | — | — | |
| SCHEMBL402866 | 0.60 | — | — | |
| SCHEMBL27343694 | 0.60 | — | — |
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-2014203278-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1R,2R,3aS,9aS)-[[2,3,3a,4,9,9a-HEXAHYDRO-2-HYDROXY-1-[(3S)-3-HYDROXYOCTYL]-1H-BENZ[f]INDEN-5-YL]OXY]ACETIC ACID | MSN LABORATORIES PRIVATE LIMITED (IN) | 2014-12-24 | — | — | WO | disclosed |