⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19250736 | 0.74 | USP2 (0.34) | — | |
| SCHEMBL13767334 | 0.70 | CHRNB2 (0.35) | — | |
| SCHEMBL10993076 | 0.69 | — | — | |
| SCHEMBL10992761 | 0.64 | — | — | |
| SCHEMBL11000337 | 0.64 | — | — | |
| SCHEMBL10988605 | 0.64 | USP2 (0.41) | — | |
| SCHEMBL7994821 | 0.63 | — | — | |
| SCHEMBL1534059 | 0.63 | — | — | |
| SCHEMBL14997307 | 0.63 | USP2 (0.43) | — | |
| SCHEMBL72928 | 0.62 | — | — |
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-4551476-A | 13,14-Didehydro-prostaglandins and process for their preparation | FARMITALIA CARLO ERBA S.P.A. (IT) | 1985-11-05 | — | — | US | disclosed |