⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9735583 | 0.92 | OPRM1 (0.36) | — | |
| SCHEMBL9736662 | 0.89 | DRD3 (0.34) | — | |
| SCHEMBL9736903 | 0.88 | OPRD1 (0.34) | — | |
| SCHEMBL9736930 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL9197783 | 0.81 | ABCB1 (0.34) | — | |
| SCHEMBL9735028 | 0.71 | ABCC9 (0.37) | — | |
| SCHEMBL9198396 | 0.71 | ABCC9 (0.39) | — | |
| SCHEMBL9735367 | 0.69 | ALOX15 (0.38) | — | |
| SCHEMBL9195508 | 0.69 | F10 (0.34) | — | |
| SCHEMBL9738250 | 0.69 | OPRM1 (0.36) | — |
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-5130322-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0415065-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |