SCHEMBL4602343

SCHEMBL4602343

C=C(C)C(=O)[N+](C)(C)CCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
DNM1 Q05193 10/20 0.43
HTT P42858 2/20 0.43
SLC22A1 O15245 1/20 0.41
LSS P48449 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL28899614 0.98 TSHR (0.47) TSHRDNM1HTTSLC22A1
Bromide SCHEMBL27620439 0.98 DNM1 (0.45) TSHRDNM1HTT
Hydrochloric Acid SCHEMBL29163705 0.98 TSHR (0.47) TSHRDNM1HTTSLC22A1
Hydrochloric Acid SCHEMBL28899621 0.98 TSHR (0.47) TSHRDNM1HTTSLC22A1
Hydrochloric Acid SCHEMBL28899670 0.98 TSHR (0.47) TSHRDNM1HTTSLC22A1
Hydrochloric Acid SCHEMBL28899726 0.98 TSHR (0.47) TSHRDNM1HTTSLC22A1
Propylamine SCHEMBL2760772 0.91 TSHR (0.42) TSHRDNM1HTT
SCHEMBL17036766 0.83 BBOX1 (0.34) TSHR
Hydrochloric Acid SCHEMBL2760773 0.81 PAOX (0.41) TSHRKMT2A
Bromide SCHEMBL11038659 0.77 DNM1 (0.52) TSHRDNM1HTTSLC22A1

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-1569989-B1 SURFACE TREATMENT METHOD BY PHOTOPOLYMERIZATION TO OBTAIN BIOCIDAL PROPERTIES DESARROLLO DEL GRAFTING S L (ES) 2008-04-16 EP disclosed
EP-1569989-A1 SURFACE TREATMENT METHOD BY PHOTOPOLYMERIZATION TO OBTAIN BIOCIDAL PROPERTIES Desarrollo del Grafting S.L. (ES) 2005-09-07 EP disclosed
WO-2004044040-A1 SURFACE TREATMENT METHOD BY PHOTOPOLYMERIZATION TO OBTAIN BIOCIDAL PROPERTIES DESARROLLO DEL GRAFTING S.L. (ES) 2004-05-27 WO disclosed