SCHEMBL2887420

SCHEMBL2887420

C=[N+](CCCCCCCCCCCC)CCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.48
DNM1 Q05193 6/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 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
Hydrochloric Acid SCHEMBL11202683 0.94 ALDH1A1 (0.42) TSHRTHRBALDH1A1DNM1LMNA
Hydrochloric Acid SCHEMBL11197352 0.84 ALDH1A1 (0.41) TSHRTHRBALDH1A1LMNA
SCHEMBL24425756 0.80 ALDH1A1 (0.34) TSHRTHRBALDH1A1MEN1KMT2A
SCHEMBL1965259 0.79
SCHEMBL1246392 0.79 ALDH1A1 (0.59) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL1273861 0.79 ALDH1A1 (0.59) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL5615699 0.79 ALDH1A1 (0.59) TSHRTHRBALDH1A1DNM1LMNA
Heptane SCHEMBL1067786 0.75
SCHEMBL7702997 0.73 TSHR (0.57) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL7694903 0.73 TSHR (0.57) TSHRTHRBALDH1A1DNM1LMNA

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-20100190900-A1 LIQUID BUTYLARYL PHOSPHITE COMPOSITIONS CHEMTURA CORPORATION (US) 2010-07-29 US claimed
US-20090326112-A1 LIQUID AMYLARYL PHOSPHITE COMPOSITIONS CHEMTURA CORPORATION (US) 2009-12-31 US claimed