⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL6429767 | 0.84 | LMNA (0.37) | — | |
| Pyrrole SCHEMBL5511228 | 0.83 | ALDH1A1 (0.38) | — | |
| Benzene SCHEMBL15863437 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL101280 | 0.81 | — | — | |
| Pyrrole SCHEMBL28293007 | 0.81 | HTT (0.30) | — | |
| Charcoal, Activated SCHEMBL7916448 | 0.78 | — | — | |
| Phosphine SCHEMBL28626874 | 0.78 | — | — | |
| Water SCHEMBL28299949 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27569451 | 0.78 | — | — | |
| SCHEMBL28491261 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1475370-B1 | OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | MITSUI CHEMICALS INC (JP) | 2009-08-05 | — | — | EP | disclosed |
| EP-1475370-B1 | OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | MITSUI CHEMICALS INC (JP) | 2009-08-05 | — | — | EP | disclosed |
| US-7271185-B2 | Optically active azole derivative and process for producing the same | MITSUI CHEMICALS, INC. (JP) | 2007-09-18 | — | — | US | disclosed |
| EP-1475370-A4 | OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | MITSUI CHEMICALS INC (JP) | 2005-07-13 | — | — | EP | disclosed |
| US-20050085521-A1 | Optically active azole derivative and process for producing the same | MITSUI CHEMICALS, INC. (JP) | 2005-04-21 | — | — | US | disclosed |
| EP-1475370-A1 | OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | Mitsui Chemicals, Inc. (JP) | 2004-11-10 | — | — | EP | disclosed |
| JP-2004131462-A | OPTICALLY ACTIVE AZOLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS INC | 2004-04-30 | — | — | JP | disclosed |
| WO-2003068758-A1 | OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | MITSUI CHEMICALS, INC. (JP) | 2003-08-21 | — | — | WO | disclosed |