⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11789000 | 0.87 | CNR1 (0.39) | — | |
| SCHEMBL11790269 | 0.86 | — | — | |
| SCHEMBL11787480 | 0.86 | — | — | |
| SCHEMBL11787487 | 0.73 | CNR2 (0.39) | — | |
| SCHEMBL11749286 | 0.72 | — | — | |
| SCHEMBL11740497 | 0.72 | — | — | |
| SCHEMBL11333465 | 0.71 | — | — | |
| SCHEMBL11319343 | 0.67 | CNR2 (0.45) | — | |
| SCHEMBL11324382 | 0.67 | — | — | |
| SCHEMBL11335622 | 0.67 | CNR2 (0.46) | — |
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-3947462-A | 2,4,7-substituted 5-hydroxy benzopyrans and esters | ABBOTT LABORATORIES (US) | 1976-03-30 | — | — | US | claimed |
| US-3947462-A | 2,4,7-substituted 5-hydroxy benzopyrans and esters | ABBOTT LABORATORIES (US) | 1976-03-30 | — | — | US | disclosed |