SCHEMBL27906010

SCHEMBL27906010

CC(C)Cl.O=c1[nH]c(=O)[nH]c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.35
TYMP P19971 7/20 0.33
IDH1 O75874 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
GDA Q9Y2T3 1/20 0.32
DAO P14920 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL9062085 0.78 IDH1 (0.44) TSHRALDH1A1CA1TYMPIDH1
SCHEMBL30107638 0.78
SCHEMBL8168378 0.74 IDH1 (0.41) TSHRALDH1A1CA1TYMPIDH1
Hydrochloric Acid SCHEMBL6441859 0.74 IDH1 (0.41) ALDH1A1CA1TYMPIDH1CSNK2A2
SCHEMBL2812463 0.74 IDH1 (0.41) TSHRALDH1A1CA1TYMPIDH1
SCHEMBL7169438 0.74 IDH1 (0.41) TSHRALDH1A1CA1TYMPIDH1
Bromide SCHEMBL7178487 0.74 IDH1 (0.41) TSHRALDH1A1CA1TYMPIDH1
Fluoride SCHEMBL498860 0.74 IDH1 (0.41) TSHRALDH1A1CA1TYMPIDH1
SCHEMBL10826556 0.74 IDH1 (0.41) TSHRALDH1A1CA1TYMPIDH1
Water SCHEMBL846175 0.74 IDH1 (0.41) TSHRALDH1A1CA1TYMPIDH1

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-102897948-B Cleaning treatment technology for isopropyl chloride cyanuric acid production waste water HEBEI JIHENG CHEMICAL CO LTD 2013-12-25 CN disclosed
CN-102897948-B Cleaning treatment technology for isopropyl chloride cyanuric acid production waste water HEBEI JIHENG CHEMICAL CO LTD 2013-12-25 CN disclosed
CN-102897948-A Cleaning treatment technology for isopropyl chloride cyanuric acid production waste water HEBEI JIHENG CHEMICAL CO LTD 2013-01-30 CN disclosed
CN-102897948-A Cleaning treatment technology for isopropyl chloride cyanuric acid production waste water HEBEI JIHENG CHEMICAL CO LTD 2013-01-30 CN disclosed