⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194949 | 0.79 | — | — | |
| Benzene SCHEMBL29124323 | 0.72 | — | — | |
| Malonaldehyde SCHEMBL8113991 | 0.69 | ALDH1A1 (0.30) | — | |
| Propionaldehyde SCHEMBL1412137 | 0.69 | ALDH1A1 (0.53) | — | |
| 2-Methylbutanal SCHEMBL9790338 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL834040 | 0.67 | — | — | |
| SCHEMBL2075451 | 0.67 | — | — | |
| SCHEMBL483681 | 0.67 | — | — | |
| SCHEMBL215145 | 0.67 | — | — | |
| SCHEMBL296757 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572665-B1 | 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS | THERAMEX (MC) | 2006-05-03 | — | — | EP | disclosed |
| EP-1572665-A2 | 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS | LABORATOIRE THERAMEX (MC) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004054983-A2 | 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS | LABORATOIRE THERAMEX (MC) | 2004-07-01 | — | — | WO | disclosed |
| EP-1431292-A1 | 1-N-phenylamino-1H-imidazole derivatives as aromatase inhibitors | LABORATOIRE THERAMEX (MC) | 2004-06-23 | — | — | EP | disclosed |
| US-6737433-B1 | ESTROGEN DEPENDENT ANTITUMOR AGENTS | LABORATOIRE THERAMEX (MC) | 2004-05-18 | — | — | US | disclosed |