⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14777016 | 0.82 | — | — | |
| SCHEMBL27880908 | 0.78 | THRB (0.43) | — | |
| SCHEMBL5397928 | 0.78 | HSD17B10 (0.32) | — | |
| SCHEMBL2124615 | 0.78 | HSD17B10 (0.32) | — | |
| SCHEMBL74895 | 0.78 | — | — | |
| SCHEMBL25388028 | 0.75 | HSD17B10 (0.31) | — | |
| SCHEMBL16083903 | 0.75 | — | — | |
| SCHEMBL4810651 | 0.75 | — | — | |
| SCHEMBL4811732 | 0.75 | — | — | |
| Rubidium SCHEMBL4809347 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116615245-A | Composition comprising a lipophilic compound and one or more (bio) alkanediols | 西姆莱斯股份公司 | 2023-08-18 | — | — | CN | disclosed |
| CN-116568267-A | Compositions comprising (bio) -alkanediol and cooling agent | 西姆莱斯股份公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-116528824-A | Composition comprising an ultraviolet filter and one or more (bio) -alkanediols | 西姆莱斯股份公司 | 2023-08-01 | — | — | CN | disclosed |
| US-8507095-B2 | Metal oxide-based fine particle and method for manufacturing the same, and resin composition | NEC CORPORATION (JP) | 2013-08-13 | — | — | US | disclosed |
| US-8329849-B2 | Organic silicon compound and material for forming silica-based fine particle | NEC CORPORATION (JP) | 2012-12-11 | — | — | US | disclosed |
| US-20110061567-A1 | METAL OXIDE-BASED FINE PARTICLE AND METHOD FOR MANUFACTURING THE SAME, AND RESIN COMPOSITION | NEC CORPORATION (JP) | 2011-03-17 | — | — | US | disclosed |
| US-20110065881-A1 | ORGANIC SILICON COMPOUND AND MATERIAL FOR FORMING SILICA-BASED FINE PARTICLE | NEC CORPORATION (JP) | 2011-03-17 | — | — | US | disclosed |
| US-6344579-B1 | REACTION OF FLUOROSILICON COMPOUND WITH REACTION OF SILICON WITH HYDROXY, ALKOXY OR ARYLOXY GROUP WITH DIFLUORODIAMINO COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2002-02-05 | — | — | US | disclosed |
| EP-1138633-A1 | PROCESS FOR PRODUCING FLUORINATED SILICON COMPOUND | Mitsui Chemicals, Inc. (JP) | 2001-10-04 | — | — | EP | disclosed |