SCHEMBL4450445

SCHEMBL4450445

CCC(C)(C)C(C)(C)OOC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL30017757 0.80 TSHR (0.34) TSHR
SCHEMBL27720790 0.77 ALDH1A1 (0.43) TSHRALDH1A1LMNA
SCHEMBL3258249 0.76 ALDH1A1 (0.36) TSHRALDH1A1LMNAHSD17B10GAA
SCHEMBL217180 0.76 ALDH1A1 (0.38) TSHRALDH1A1LMNAHSD17B10GAA
SCHEMBL29136616 0.74 TSHR (0.38) TSHRALDH1A1
SCHEMBL9639669 0.74 TSHR (0.43) TSHRALDH1A1LMNAHSD17B10GAA
SCHEMBL29073797 0.74 EGLN1 (0.38) TSHRALDH1A1LMNA
Trimethylammonium SCHEMBL27614440 0.71 ALDH1A1 (0.33) TSHRALDH1A1LMNAHSD17B10GAA
SCHEMBL27338284 0.70 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10GAA
SCHEMBL24499 0.69

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-1943306-A4 LOW TEMPERATURE INITIATORS FOR IMPROVING THE RUBBER PHASE VOLUME OF HIPS FORMULATIONS FINA TECHNOLOGY (US) 2009-08-05 EP claimed
EP-1943306-A1 LOW TEMPERATURE INITIATORS FOR IMPROVING THE RUBBER PHASE VOLUME OF HIPS FORMULATIONS FINA TECHNOLOGY, INC. (US) 2008-07-16 EP claimed
WO-2007053268-A1 LOW TEMPERATURE INITIATORS FOR IMPROVING THE RUBBER PHASE VOLUME OF HIPS FORMULATIONS FINA TECHNOLOGY, INC. (US) 2007-05-10 WO claimed