⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11902960 | 0.66 | — | — | |
| SCHEMBL17710637 | 0.64 | — | — | |
| SCHEMBL7206808 | 0.61 | SHBG (0.33) | — | |
| SCHEMBL9067209 | 0.56 | SHBG (0.30) | — | |
| SCHEMBL27957040 | 0.55 | — | — | |
| SCHEMBL8708682 | 0.52 | EPHX1 (0.32) | — | |
| SCHEMBL29135329 | 0.48 | — | — | |
| SCHEMBL14498939 | 0.47 | TSHR (0.33) | — | |
| SCHEMBL24474606 | 0.47 | SHBG (0.34) | — | |
| SCHEMBL200257 | 0.47 | SHBG (0.54) | — |
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-4174220-A | DIHYDROXYDIPHENYL COMPOUND AND 2,2'-SPIROBI(2H-1-BENZOPYRAN) DERIVATIVE | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1979-11-13 | — | — | US | disclosed |