⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10996869 | 0.69 | — | — | |
| SCHEMBL3174211 | 0.61 | — | — | |
| SCHEMBL247618 | 0.58 | — | — | |
| SCHEMBL1524655 | 0.58 | KDM4E (0.35) | — | |
| SCHEMBL386275 | 0.57 | — | — | |
| SCHEMBL8901227 | 0.55 | — | — | |
| SCHEMBL14332329 | 0.55 | THRA (0.38) | — | |
| SCHEMBL910813 | 0.55 | — | — | |
| SCHEMBL2137880 | 0.53 | — | — | |
| SCHEMBL7994843 | 0.53 | — | — |
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 |