SCHEMBL6934656

SCHEMBL6934656

CCCNCCNCCNCCNCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ADH1B P00325 3/20 0.44
ADH1A P07327 3/20 0.44
ADH7 P40394 3/20 0.44
PAOX Q6QHF9 1/20 0.43
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA1 P00915 2/20 0.38
TP53 P04637 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
ALOX15 P16050 1/20 0.38
CA4 P22748 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
SCHEMBL1003894 1.00 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL4745526 1.00 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL17626634 0.95 TSHR (0.53) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL15445 0.95
Bromide SCHEMBL6657855 0.92 TSHR (0.44) TSHRALDH1A1ADH1BADH1AADH7
Bromide SCHEMBL3468246 0.91
SCHEMBL7184374 0.91
SCHEMBL21176007 0.91
Propane SCHEMBL20526066 0.91 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL6910828 0.91 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961577-B Surface sealing method and corrosion-resistant component 江苏徐工工程机械研究院有限公司 2022-02-01 CN claimed
EP-1370563-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-12-17 EP claimed
WO-2002076991-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-10-03 WO claimed
CN-112961577-B Surface sealing method and corrosion-resistant component 江苏徐工工程机械研究院有限公司 2022-02-01 CN disclosed
EP-3630727-B1 PROCESS FOR MANUFACTURING A CYCLIC UREA ADDUCT OF AN ETHYLENEAMINE COMPOUND NOURYON CHEMICALS INT BV (NL) 2021-07-14 EP disclosed
CN-112961577-A Surface sealing method and corrosion-resistant component 江苏徐工工程机械研究院有限公司 2021-06-15 CN disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 US disclosed