⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1016360 | 0.83 | — | — | |
| SCHEMBL1016341 | 0.81 | — | — | |
| SCHEMBL1020333 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL1014201 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL259843 | 0.75 | — | — | |
| SCHEMBL1145309 | 0.73 | — | — | |
| SCHEMBL1016901 | 0.72 | — | — | |
| SCHEMBL6685768 | 0.71 | CA2 (0.42) | — | |
| SCHEMBL98185 | 0.71 | — | — | |
| SCHEMBL1013350 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023171797-A1 | PIGMENT-CONTAINING COMPOSITION, AND INK USING SAME | 株式会社クラレ | 2023-09-14 | — | — | WO | disclosed |
| WO-2019053617-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-03-21 | — | — | WO | disclosed |
| US-20130116287-A1 | FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-09 | — | — | US | disclosed |
| US-20130012546-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2013-01-10 | — | — | US | disclosed |
| US-8247595-B2 | Organic sulfur compound and its use for controlling harmful arthropod | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| EP-2152668-B1 | ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS | SUMITOMO CHEMICAL CO (JP) | 2011-01-12 | — | — | EP | disclosed |
| US-20100160434-A1 | ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| US-5681914-A | Curable silicone composition | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 1997-10-28 | — | — | US | disclosed |
| EP-0744443-A2 | Curable silicone composition | Dow Corning Toray Silicone Company Ltd. (JP) | 1996-11-27 | — | — | EP | disclosed |
| US-5356563-A | Two plate electrooptical cell | HOFFMANN-LA ROCHE INC. (US) | 1994-10-18 | — | — | US | disclosed |
| US-5244597-A | Liquid crystalline mixtures having a chiral tilted smectic phase | HOFFMANN-LA ROCHE INC. (US) | 1993-09-14 | — | — | US | disclosed |
| EP-0343487-B1 | CYCLOHEXYL ESTERS OF ALPHA-FLUORO/CARBOXYLIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-20 | — | — | EP | disclosed |