⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1784812 | 0.84 | CES1 (0.37) | — | |
| SCHEMBL1782079 | 0.82 | FDPS (0.45) | — | |
| SCHEMBL31437039 | 0.80 | FDPS (0.47) | — | |
| SCHEMBL1783264 | 0.80 | FDPS (0.47) | — | |
| SCHEMBL1782787 | 0.80 | FDPS (0.47) | — | |
| SCHEMBL1501596 | 0.80 | — | — | |
| SCHEMBL4301113 | 0.80 | — | — | |
| SCHEMBL381512 | 0.80 | — | — | |
| SCHEMBL23939098 | 0.79 | CES2 (0.35) | — | |
| SCHEMBL14961841 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952140-B1 | 2-Hydroxy-5-methyl-hexan-3-one and 3-hydroxy-5-methyl-hexan-2-one | GIVAUDAN SA (CH) | 2004-04-28 | — | — | EP | claimed |
| WO-2015005901-A1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-01-15 | — | — | WO | disclosed |
| US-20140285695-A1 | OPTICAL MEMBER SET AND SOLID-STATE IMAGING ELEMENT USING THE SAME | FUJIFILM CORPORATION (JP) | 2014-09-25 | — | — | US | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-8536359-B2 | Alkoxysilane compounds having fluoroalkyl group and method of preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-09-17 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| US-20100249166-A1 | DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM | XY, INC. (US) | 2010-09-30 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| US-3957745-A | FLAVORING AND FRAGRANCE COMPOSITIONS | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1976-05-18 | — | — | US | disclosed |