⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8928335 | 0.75 | — | — | |
| SCHEMBL747985 | 0.73 | — | — | |
| SCHEMBL2273482 | 0.73 | — | — | |
| SCHEMBL2464888 | 0.71 | — | — | |
| SCHEMBL7875901 | 0.71 | — | — | |
| SCHEMBL11804104 | 0.71 | — | — | |
| SCHEMBL11268544 | 0.69 | — | — | |
| SCHEMBL8983898 | 0.69 | — | — | |
| SCHEMBL501721 | 0.69 | — | — | |
| SCHEMBL8040814 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4235781-A | 6 Or 8 Haloallyl substituted 7-hydroxycoumarins | THOMAS C. ELDER, INC. (US) | 1980-11-25 | — | — | US | disclosed |
| US-4216154-A | CLAISEN REARRANGEMENT OF A 7-HALOALLYL ETHER OF A HYDROXYCOUMARIN | THOMAS C. ELDER, INC. (US) | 1980-08-05 | — | — | US | disclosed |