⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10609832 | 0.93 | PRMT5 (0.30) | — | |
| SCHEMBL10610803 | 0.88 | PDK2 (0.34) | — | |
| SCHEMBL10610280 | 0.88 | PDK2 (0.34) | — | |
| SCHEMBL10610242 | 0.88 | PRMT5 (0.33) | — | |
| SCHEMBL10610584 | 0.87 | PDK2 (0.35) | — | |
| SCHEMBL10611947 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL10609486 | 0.79 | PRMT5 (0.36) | — | |
| SCHEMBL10610241 | 0.78 | GPR55 (0.38) | — | |
| SCHEMBL10612016 | 0.74 | PDK2 (0.32) | — | |
| SCHEMBL10612449 | 0.74 | FFAR1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0271550-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AND COMPOSITIONS CONTAINING THEM | ALKALOIDA VEGYéSZETI GYáR (HU) | 1988-06-22 | — | — | EP | disclosed |
| WO-1988000197-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AND COMPOSITIONS CONTAINING THEM | ALKALOIDA VEGYE^´SZETI GYA^´R (HU) | 1988-01-14 | — | — | WO | disclosed |