SCHEMBL16045293

SCHEMBL16045293

CC(C)C(O)CC(O)C(C)C.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 4/20 0.41
NT5E P21589 1/20 0.41
PSIP1 O75475 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 1/20 0.40
LARS1 Q9P2J5 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 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
Benzoic Acid SCHEMBL16044142 0.91 TSHR (0.48) TSHRSMN1; SMN2POLBCYP2D6HSD17B10
SCHEMBL11081615 0.85 TSHR (0.64) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
SCHEMBL16044272 0.85 TSHR (0.64) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
Isopropyl Alcohol SCHEMBL5735328 0.84 TSHR (0.76) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
SCHEMBL16046756 0.82 TSHR (0.73) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
SCHEMBL16044868 0.81 TSHR (0.64) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
Propylene Glycol SCHEMBL16044401 0.81 TSHR (0.64) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
SCHEMBL5875401 0.80 TSHR (0.70) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
SCHEMBL28902110 0.80 TSHR (0.70) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
SCHEMBL16045650 0.80 TSHR (0.57) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP disclosed
US-9790291-B2 Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORPORATION, USA (US) 2017-10-17 US disclosed
EP-2969201-A2 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS Formosa Plastics Corporation, U.S.A. (US) 2016-01-20 EP disclosed
WO-2014160012-A2 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-10-02 WO disclosed
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed