⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6998759 | 0.99 | — | — | |
| SCHEMBL6991849 | 0.81 | SIGMAR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6996287 | 0.80 | SIGMAR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6989617 | 0.79 | IDO1 (0.33) | — | |
| SCHEMBL6995697 | 0.74 | ALOX5 (0.31) | — | |
| SCHEMBL6996657 | 0.73 | SLC6A4 (0.35) | — | |
| SCHEMBL7001767 | 0.72 | OPRM1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL7003624 | 0.71 | OPRM1 (0.39) | — | |
| SCHEMBL7001031 | 0.69 | LMNA (0.34) | — | |
| SCHEMBL6994884 | 0.68 | GAA (0.44) | — |
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-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | claimed |