SCHEMBL4362974

SCHEMBL4362974

CCCCCC1C=CC(CCCCC)C=C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GBA1 P04062 4/20 0.33
SLC22A1 O15245 2/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DNM1 Q05193 1/20 0.33
SLC22A2 O15244 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4367088 0.97 TSHR (0.47) TSHRTHRBALDH1A1EPHX1LMNA
SCHEMBL6750459 0.97 TSHR (0.47) TSHRTHRBALDH1A1EPHX1LMNA
SCHEMBL6524652 0.97 TSHR (0.47) TSHRTHRBALDH1A1EPHX1LMNA
SCHEMBL8910144 0.90
Trimethylammonium SCHEMBL10495221 0.89 DNM1 (0.39) TSHRTHRBALDH1A1EPHX1GBA1
Trimethylammonium SCHEMBL10495137 0.89 DNM1 (0.39) TSHRTHRBALDH1A1EPHX1DNM1
Trimethylammonium SCHEMBL10495303 0.87 DNM1 (0.42) TSHRTHRBALDH1A1EPHX1LMNA
Trimethylammonium SCHEMBL10495161 0.87 DNM1 (0.42) TSHRTHRBALDH1A1EPHX1HTT
Trimethylammonium SCHEMBL10495142 0.87 DNM1 (0.42) TSHRTHRBALDH1A1EPHX1LMNA
Trimethylammonium SCHEMBL10495192 0.87 DNM1 (0.42) TSHRTHRBALDH1A1EPHX1LMNA

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
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed