⚠ 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 SCHEMBL7511016 | 0.99 | CSNK2A1 (0.30) | — | |
| SCHEMBL7145072 | 0.87 | SCN9A (0.35) | — | |
| SCHEMBL7139134 | 0.81 | EPHX1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7510453 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL7143023 | 0.76 | P2RX7 (0.32) | — | |
| SCHEMBL7137678 | 0.72 | SCN9A (0.36) | — | |
| SCHEMBL2638514 | 0.72 | — | — | |
| SCHEMBL7136147 | 0.71 | MEN1 (0.37) | — | |
| SCHEMBL2638731 | 0.70 | EPHX1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7511010 | 0.70 | EPHX1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192122-B1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2003-10-22 | — | — | EP | claimed |
| US-6482986-B1 | Benzene derivatives, preparation method and pharmaceutical compositions containing same | SANOFI-SYNTHELABO (FR) | 2002-11-19 | — | — | US | claimed |
| EP-1192122-B1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2003-10-22 | — | — | EP | disclosed |
| US-6482986-B1 | Benzene derivatives, preparation method and pharmaceutical compositions containing same | SANOFI-SYNTHELABO (FR) | 2002-11-19 | — | — | US | disclosed |
| EP-1192122-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076953-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2000-12-21 | — | — | WO | disclosed |