⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45935 | 0.79 | DEGS1 (0.35) | — | |
| SCHEMBL29377776 | 0.79 | NFE2L2 (0.36) | — | |
| SCHEMBL69571 | 0.79 | NFE2L2 (0.36) | — | |
| SCHEMBL35943 | 0.79 | HDAC6 (0.36) | — | |
| SCHEMBL14553395 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL26504194 | 0.76 | CCR6 (0.37) | — | |
| SCHEMBL306348 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL29443546 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL15944537 | 0.71 | NFE2L2 (0.33) | — | |
| SCHEMBL23057069 | 0.69 | CA12 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8178560-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2012-05-15 | — | — | US | disclosed |
| US-8168649-B2 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | Merk Sharp & Dohme Corp. (US) | 2012-05-01 | — | — | US | disclosed |
| US-20100331369-A1 | Therapeutic Agents Useful for Treating Pain | PURDUE PHARMA L.P. (US) | 2010-12-30 | — | — | US | disclosed |
| US-20100144778-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME LLC | 2010-06-10 | — | — | US | disclosed |
| US-7348440-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |