SCHEMBL7945948

SCHEMBL7945948

C=CCOCC(O)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA7 P43166 4/20 0.53
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
BLM P54132 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
KMT2A Q03164 1/20 0.41
CA9 Q16790 4/20 0.38
TET2 Q6N021 3/20 0.38
CA4 P22748 3/20 0.38
KDM4A O75164 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
TET3 O43151 1/20 0.38

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
SCHEMBL1093821 0.84 CA1 (0.49) CA1CA2CA7CYP2D6CYP2C19
SCHEMBL8927032 0.84 CA1 (0.52) CA1CA2CA7CYP2D6CYP2C19
SCHEMBL4443728 0.82 CA1 (0.59) CA1CA2CA7CYP2D6CA9
SCHEMBL6380030 0.82 CA1 (0.55) CA1CA2CA7CYP2D6CYP2C19
SCHEMBL28038601 0.82 TET2 (0.48) CYP2C19TET2KDM4AKDM4CKDM2A
SCHEMBL10412414 0.78 CA1 (0.46) CA1CA2CA7CYP2D6MEN1
SCHEMBL8926368 0.78 CA1 (0.46) CA1CA2CA7CYP2D6CYP2C19
SCHEMBL11149618 0.78 CA1 (0.46) CA1CA2CA7CYP2D6CA9
SCHEMBL11033583 0.77 CA1 (0.49) CA1CA2CA7CYP2D6SLC6A4
SCHEMBL497334 0.77 CA1 (0.74) CA1CA2CA7CYP2D6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278961-A Chloride-free cationic polymers using acetate anions 联合碳化公司 2020-06-12 CN disclosed
CN-111032845-A Chloride-free cationic polymers using acetate anions 联合碳化公司 2020-04-17 CN disclosed
US-6245579-B1 WATER SOLUBLE POLYMERIC THIOSULFATE SURFACE COATINGS UNIVERSITAT KARLSRUHE (DE) 2001-06-12 US disclosed