⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11788430 | 0.86 | — | — | |
| SCHEMBL11787487 | 0.85 | CNR2 (0.39) | — | |
| SCHEMBL11790269 | 0.78 | — | — | |
| SCHEMBL11321053 | 0.78 | CNR2 (0.41) | — | |
| Nonabine SCHEMBL2111682 | 0.76 | KDR (0.32) | — | |
| SCHEMBL17414514 | 0.75 | KDR (0.33) | — | |
| SCHEMBL11786922 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL11794429 | 0.73 | — | — | |
| SCHEMBL11787103 | 0.73 | — | — | |
| SCHEMBL11382132 | 0.72 | ALDH1A1 (0.48) | — |
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 |