SCHEMBL2688807

SCHEMBL2688807

O=P(O)(O)OP(=O)(OCCCl)OCCCl

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
FDPS P14324 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BTN3A1 O00481 2/20 0.35
MVD P53602 2/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11474867 0.98 ALDH1A1 (0.61) ALDH1A1FDPSBLMTDP1BTN3A1
SCHEMBL28767711 0.85 ALDH1A1 (0.47) ALDH1A1FDPSBLMTDP1BTN3A1
SCHEMBL4648149 0.85 ALDH1A1 (0.78) ALDH1A1CYP3A4
SCHEMBL27343045 0.82 ALDH1A1 (0.48) ALDH1A1FDPSBLMTDP1BTN3A1
SCHEMBL29073291 0.82 ALDH1A1 (0.44) ALDH1A1LPAR3LPAR1LPAR2
Phosphoric Acid SCHEMBL6229840 0.82 ALDH1A1 (0.83) ALDH1A1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL5462826 0.81 ALDH1A1 (0.42) ALDH1A1MVD
SCHEMBL4648152 0.81 BTN3A1 (0.53) ALDH1A1FDPSBLMTDP1BTN3A1
Ethylene SCHEMBL499600 0.80 ALDH1A1 (0.70) ALDH1A1CYP3A4
SCHEMBL29010076 0.79 ALDH1A1 (0.60) ALDH1A1FDPSBLMTDP1LPAR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116223679-A Method for simultaneously detecting 1, 2-dichloroethane and 2-chloroethyl phosphate mono-2-chloroethyl ester 中国检验检疫科学研究院粤港澳大湾区研究院 2023-06-06 CN disclosed
CN-109415528-A Fire-retardant semi-hard polyurethane foam 陶氏环球技术有限责任公司 2019-03-01 CN disclosed
US-8167999-B2 Three-dimensional printing material system with improved color, article performance, and ease of use 3D SYSTEMS, INC. (US) 2012-05-01 US disclosed
US-20080187711-A1 Three-Dimensional Printing Material System With Improved Color, Article Performance, and Ease of Use Z CORPORATION (US) 2008-08-07 US disclosed