⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10697215 | 0.82 | S100A4 (0.34) | — | |
| SCHEMBL10694946 | 0.81 | PDE4A (0.41) | — | |
| SCHEMBL10694147 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL8084221 | 0.80 | — | — | |
| SCHEMBL10697118 | 0.80 | RAB9A (0.37) | — | |
| SCHEMBL7377496 | 0.78 | CCNC (0.30) | — | |
| SCHEMBL10693640 | 0.77 | MAPT (0.41) | — | |
| SCHEMBL10697804 | 0.76 | MAPT (0.34) | — | |
| SCHEMBL7373684 | 0.76 | CCNC (0.36) | — | |
| SCHEMBL7266931 | 0.76 | RXFP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0273262-A2 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |