⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7878462 | 0.81 | — | — | |
| SCHEMBL1287272 | 0.75 | — | — | |
| SCHEMBL7149327 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL441470 | 0.73 | — | — | |
| SCHEMBL10425021 | 0.73 | — | — | |
| SCHEMBL21280799 | 0.73 | — | — | |
| SCHEMBL25278306 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2672014 | 0.71 | — | — | |
| SCHEMBL31438419 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL21514820 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017040990-A1 | PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF | AILERON THERAPEUTICS, INC. (US) | 2017-03-09 | — | — | WO | disclosed |
| EP-1973901-B1 | HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2288597-B1 | METHOD FOR PREPARING 1,3,4-SUBSTITUTED PYRAZOL COMPOUNDS | BASF SE (DE) | 2014-10-29 | — | — | EP | disclosed |
| US-8598222-B2 | Method for preparing 1,3,4-substituted pyrazol compounds | BASF SE (DE) | 2013-12-03 | — | — | US | disclosed |
| US-20110172436-A1 | Method for preparing 1,3,4-substituted pyrazol compounds | BASF SE (EP) | 2011-07-14 | — | — | US | disclosed |
| CN-102015654-A | Process for preparing 1,3, 4-substituted pyrazole compounds | BASF SE | 2011-04-13 | — | — | CN | disclosed |
| WO-2007072975-A1 | METHOD FOR FUNCTIONALISING A HYDROPHOBIC SUBSTRATE | SHARP KABUSHIKI KAISHA (JP) | 2007-06-28 | — | — | WO | disclosed |