⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2677295 | 0.76 | HPGD (0.38) | — | |
| SCHEMBL2115713 | 0.73 | — | — | |
| SCHEMBL7973334 | 0.70 | CA2 (0.44) | — | |
| SCHEMBL2363317 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL9550046 | 0.61 | KDM4E (0.31) | — | |
| SCHEMBL3694032 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL18281396 | 0.59 | KDM4E (0.34) | — | |
| SCHEMBL2116601 | 0.59 | — | — | |
| SCHEMBL2905292 | 0.58 | ALDH1A1 (0.64) | — | |
| SCHEMBL2904811 | 0.58 | ALDH1A1 (0.56) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110092553-A1 | Substituted Azole Derivatives, Compositions, and Methods of Use | TRANSTECH PHARMA, INC. (US) | 2011-04-21 | — | — | US | claimed |
| JP-2007523903-A | — | — | 2007-08-23 | — | — | JP | claimed |
| CN-1922151-A | Substituted azole derivatives, compositions, and methods of use | TRANSTECH PHARMA INC (US) | 2007-02-28 | — | — | CN | claimed |
| EP-1730118-A1 | SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | Transtech Pharma, Inc. (US) | 2006-12-13 | — | — | EP | claimed |
| WO-2005080346-A1 | SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-09-01 | — | — | WO | claimed |
| US-20050187277-A1 | Substituted azole derivatives, compositions, and methods of use | TRANSTECH PHARMA, INC. | 2005-08-25 | — | — | US | claimed |
| US-20110092553-A1 | Substituted Azole Derivatives, Compositions, and Methods of Use | TRANSTECH PHARMA, INC. (US) | 2011-04-21 | — | — | US | disclosed |
| CN-1922151-A | Substituted azole derivatives, compositions, and methods of use | TRANSTECH PHARMA INC (US) | 2007-02-28 | — | — | CN | disclosed |
| EP-1730118-A1 | SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | Transtech Pharma, Inc. (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005080346-A1 | SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-09-01 | — | — | WO | disclosed |
| US-20050187277-A1 | Substituted azole derivatives, compositions, and methods of use | TRANSTECH PHARMA, INC. | 2005-08-25 | — | — | US | disclosed |