⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7030888 | 0.91 | DRD2 (0.30) | — | |
| SCHEMBL7031872 | 0.87 | — | — | |
| SCHEMBL7029447 | 0.84 | L3MBTL1 (0.31) | — | |
| SCHEMBL7029658 | 0.81 | — | — | |
| SCHEMBL9023675 | 0.81 | TRPV4 (0.33) | — | |
| SCHEMBL7031698 | 0.80 | — | — | |
| SCHEMBL7028446 | 0.78 | — | — | |
| SCHEMBL7024135 | 0.78 | KMT2A (0.32) | — | |
| SCHEMBL7033033 | 0.77 | KMT2A (0.33) | — | |
| SCHEMBL7024088 | 0.77 | KMT2A (0.33) | — |
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-0736014-A1 | N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS | BAYER AG (DE) | 1996-10-09 | — | — | EP | disclosed |