⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7548967 | 0.90 | MEN1 (0.31) | — | |
| SCHEMBL7554174 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL7552870 | 0.79 | MGMT (0.40) | — | |
| SCHEMBL9566659 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL1680978 | 0.70 | HTR2C (0.39) | — | |
| SCHEMBL5954786 | 0.68 | TLR4 (0.34) | — | |
| SCHEMBL8647484 | 0.68 | GRIN2D (0.32) | — | |
| SCHEMBL7797933 | 0.66 | S100A4 (0.33) | — | |
| SCHEMBL28378850 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL30695143 | 0.64 | SMN1; SMN2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0905121-B1 | o-nitro(thio)phenol compounds and their preparation | INFINEON TECHNOLOGIES AG (DE) | 2002-07-03 | — | — | EP | disclosed |
| US-6320081-B1 | SUITABLE FOR PREPARATION OF SELECTED O-AMINOPHENOLS OR O-AMINOTHIOPHENOLS OF HIGH ISOMER PURITY AND STABILITY TO OXIDATION; MONOMERS FOR PREPARATION OF POLYBENZOTHIAZOLE OR POLYBENZOXAZOLE PRECURSORS | INFINEON TECHNOLOGIES AG (DE) | 2001-11-20 | — | — | US | disclosed |
| EP-0905121-A1 | o-nitro(thio)phenol compounds and their preparation | SIEMENS AKTIENGESELLSCHAFT (DE) | 1999-03-31 | — | — | EP | disclosed |