⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1606647 | 0.98 | CEL (0.32) | — | |
| SCHEMBL8139831 | 0.98 | CEL (0.32) | — | |
| SCHEMBL8133889 | 0.95 | — | — | |
| SCHEMBL7442542 | 0.71 | — | — | |
| SCHEMBL21777712 | 0.64 | CEL (0.36) | — | |
| SCHEMBL1777152 | 0.62 | CEL (0.38) | — | |
| SCHEMBL7854209 | 0.60 | CEL (0.31) | — | |
| SCHEMBL5581551 | 0.60 | TDO2 (0.34) | — | |
| SCHEMBL7853379 | 0.59 | CEL (0.32) | — | |
| SCHEMBL7854146 | 0.59 | CEL (0.32) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170231979-A1 | Methods and Compositions for Treating Vasomotor Symptoms | UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION | 2017-08-17 | — | — | US | disclosed |
| US-8518975-B2 | Gamma secretase modulators | Merck Sharp + Dohme Corp. (US) | 2013-08-27 | — | — | US | disclosed |
| US-20110082153-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2011-04-07 | — | — | US | disclosed |
| EP-2200990-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009032277-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2009-03-12 | — | — | WO | disclosed |
| US-6147226-A | Synthesis of cyclopentyl 2-thienyl ketone, tiletamine and tiletamine acid addition salts, such as tiletamine hydrochloride | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-11-14 | — | — | US | disclosed |
| WO-2000049012-A1 | PROCESS FOR THE PRODUCTION OF CYCLOPENTYL 2-THIENYL KETONE | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-08-24 | — | — | WO | disclosed |
| WO-2000049012-A1 | PROCESS FOR THE PRODUCTION OF CYCLOPENTYL 2-THIENYL KETONE | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-08-24 | — | — | WO | disclosed |
| EP-1029858-A1 | Process for the production of cyclopentyl 2-thienyl ketone | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-08-23 | — | — | EP | disclosed |