SCHEMBL9567939

SCHEMBL9567939

C=CCN(CC=C)CCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
DNM1 Q05193 3/20 0.44
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 6/20 0.39
FAAH O00519 1/20 0.38
THRB P10828 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35

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
SCHEMBL9807763 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL6257271 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL4366918 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL3237794 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL9807794 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL10071610 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL4755851 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL11043940 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL7167469 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
Hydrochloric Acid SCHEMBL5267014 0.98 DNM1 (0.46) TSHRDNM1ALDH1A1KCNH2FAAH

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
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP disclosed
EP-0526800-A1 Polymers from N-containing monomers polymerised in the presence of monosaccharids, oligosaccharids or polysaccharids and derivatives BASF Aktiengesellschaft (DE) 1993-02-10 EP disclosed
US-4348380-A CYCLOPOLYMERIZED SALT OF ALKYL DIALLYLAMINE L'OREAL (FR) 1982-09-07 US disclosed