⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15160640 | 0.82 | CHRNB2 (0.37) | — | |
| SCHEMBL240843 | 0.82 | SMYD3 (0.39) | — | |
| SCHEMBL22039227 | 0.76 | PTGS2 (0.39) | — | |
| SCHEMBL19265815 | 0.76 | PTGS2 (0.39) | — | |
| SCHEMBL24311213 | 0.76 | — | — | |
| SCHEMBL7880461 | 0.76 | — | — | |
| SCHEMBL21549405 | 0.76 | — | — | |
| SCHEMBL6982748 | 0.76 | SMYD3 (0.37) | — | |
| SCHEMBL4783955 | 0.73 | — | — | |
| SCHEMBL30768308 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3089966-B1 | NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE | ESTRYX PHARMA LTD (GB) | 2020-10-21 | — | — | EP | disclosed |
| WO-2014145095-A1 | MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. (US) | 2014-09-18 | — | — | WO | disclosed |
| WO-2014008285-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. (US) | 2014-01-09 | — | — | WO | disclosed |