⚠ 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 SCHEMBL6308993 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6305983 | 0.86 | HTR2A (0.31) | — | |
| SCHEMBL6996663 | 0.84 | SLC6A4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5189544 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5467217 | 0.77 | NAAA (0.38) | — | |
| Hydrochloric Acid SCHEMBL5472555 | 0.77 | MEN1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5473099 | 0.75 | KMT2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL5465388 | 0.75 | — | — | |
| SCHEMBL7001034 | 0.75 | LMNA (0.33) | — | |
| Hydrochloric Acid SCHEMBL5465710 | 0.75 | KMT2A (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1319097-A | Benzoxazine and benzothiazine derivatives and their use in medicines | SCHERING AG (DE) | 2001-10-24 | — | — | CN | disclosed |
| EP-1114037-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | Schering Aktiengesellschaft (DE) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000017173-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-03-30 | — | — | WO | disclosed |