SCHEMBL8060068

SCHEMBL8060068

CCCCOP(=S)(OCl)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
LPAR3 Q9UBY5 8/20 0.45
LPAR2 Q9HBW0 7/20 0.45
LPAR1 Q92633 3/20 0.37
TSHR P16473 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5852230 0.93 LPAR3 (0.54) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL5852208 0.91 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL5850473 0.91 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL8044305 0.91 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL8055699 0.85 MEN1 (0.35) LPAR3LPAR2MEN1KMT2ATDP1
SCHEMBL39720 0.85 CYP3A4 (0.55) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL11216760 0.79 TDP1 (0.45) CYP3A4LPAR3LPAR2TSHRMEN1
SCHEMBL1604996 0.78 MEN1 (0.54) CYP3A4LPAR3LPAR2LPAR1TSHR
Ammonia Solution, Strong SCHEMBL5047510 0.78 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL31506434 0.78 LPAR3 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018067-A UPGRADING A CRUDE DIHYDROCARBYLTHIOPHOSPHATE PRODUCT CONTAMINATED WITH A DIHYDROCARBYLPOLYSULFIDE AND/OR A DIHYDROCARBYLCHLOROPHOSPHATE, BY TREATING WITH HYPOCHLORITE SOLUTION AND SEPARATING AN AQUEOUS PHASE FROM THE PRODUCT ALBEMARLE CORPORATION (US) 2000-01-25 US disclosed
US-5955626-A Process of purifying dihydrocarbylchlorothiophosphates ALBEMARLE CORPORATION (US) 1999-09-21 US disclosed