SCHEMBL11067787

SCHEMBL11067787

COC(=O)CC(C)(C)/C=C/C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TET2 Q6N021 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL11067789 1.00 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL5683289 0.82 TSHR (0.31) TSHR
SCHEMBL5683291 0.82 TSHR (0.31) TSHR
SCHEMBL10957394 0.82 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL10880317 0.82 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL9796686 0.81 GAA (0.40) HSD17B10MGAMGAASIMGAM2
SCHEMBL9796681 0.81 GAA (0.40) HSD17B10MGAMGAASIMGAM2
SCHEMBL5686096 0.79
SCHEMBL5686092 0.79
SCHEMBL11265736 0.77 HMGCR (0.42) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4092482-A Process for preparing 6,6,6-trihalo-3,3-dimethyl-4-hexenoates SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-05-30 US claimed
US-4468521-A Method of producing gamma-halogeno-delta unsaturated carboxylic acid esters KURARAY CO., LTD. (JP) 1984-08-28 US disclosed
US-4458090-A RECYCLING LACTONE BY-PRODUCT KURARAY CO., LTD. (JP) 1984-07-03 US disclosed
US-4092482-A Process for preparing 6,6,6-trihalo-3,3-dimethyl-4-hexenoates SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-05-30 US disclosed