⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3240184 | 1.00 | — | — | |
| SCHEMBL14775508 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL5932376 | 0.81 | — | — | |
| SCHEMBL9540437 | 0.81 | — | — | |
| SCHEMBL5932372 | 0.81 | — | — | |
| SCHEMBL10000137 | 0.80 | ALDH1A1 (0.52) | — | |
| SCHEMBL11573696 | 0.79 | — | — | |
| SCHEMBL8705278 | 0.79 | — | — | |
| SCHEMBL8705280 | 0.79 | — | — | |
| SCHEMBL5932785 | 0.79 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8558012-B2 | 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2013-10-15 | — | — | US | disclosed |
| EP-2487149-A1 | METHOD FOR PRODUCING KETONE | JX Nippon Oil & Energy Corporation (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-20120197036-A1 | METHOD FOR MANUFACTURING KETONE | OSAKA UNIVERSITY (JP) | 2012-08-02 | — | — | US | disclosed |
| US-20110319637-A1 | 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2011-12-29 | — | — | US | disclosed |
| EP-2341042-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2011-07-06 | — | — | EP | disclosed |
| US-7745654-B2 | Process for the preparation of vinyl- or allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-06-29 | — | — | US | disclosed |
| US-7304184-B2 | Process for producing allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2007-12-04 | — | — | US | disclosed |
| EP-1840115-A2 | Process for the preparation of vinyl- or allyl-containing compounds | Daicel Chemical Industries, Ltd. (JP) | 2007-10-03 | — | — | EP | disclosed |
| US-20070213549-A1 | Process for the preparation of vinyl- or allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. | 2007-09-13 | — | — | US | disclosed |
| EP-1803701-A1 | Process for the preparation of vinyl ether compounds | Daicel Chemical Industries, Ltd. (JP) | 2007-07-04 | — | — | EP | disclosed |
| US-20040171885-A1 | Process for producing allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-09-02 | — | — | US | disclosed |
| EP-1452516-A2 | Process for producing allyl-containing compounds | Daicel Chemical Industries, Ltd. (JP) | 2004-09-01 | — | — | EP | disclosed |
| US-5567347-A | SMOOTHNESS, SOFTNESS, WATERPROOFING | DOW CORNING CORPORATION (US) | 1996-10-22 | — | — | US | disclosed |
| US-5413724-A | Treatment for waterproofing, softness, compression resistance of fabrics and fibers using unsaturated acetates and hydrogen siloxanes | DOW CORNING CORPORATION (US) | 1995-05-09 | — | — | US | disclosed |
| US-5409620-A | Fiber treatment compositions containing organofunctional siloxanes and methods for the preparation thereof | DOW CORNING CORPORATION (US) | 1995-04-25 | — | — | US | disclosed |
| EP-0087097-B1 | 2-ALKYL-1,3-DIACYLOXY-4-HYDROXY-1-BUTENES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1987-05-13 | — | — | EP | disclosed |
| EP-0063320-A1 | Process for the preparation of acyloxybutenes | BASF Aktiengesellschaft (DE) | 1982-10-27 | — | — | EP | disclosed |
| US-4133836-A | UNSATURATED ALDEHYDE AND ALCOHOL, NITRIC ACID, RECTIFICATION | BASF AKTIENGESELLSCHAFT (DE) | 1979-01-09 | — | — | US | disclosed |
| US-4044050-A | Isomerization of propenyl esters | CHEVRON RESEARCH COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-3949007-A | METAL HYDROXIDE OR ALKOXIDE CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-06 | — | — | US | disclosed |