SCHEMBL6285913

SCHEMBL6285913

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25199379 0.80 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL28248190 0.78 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL6287244 0.78 MEN1 (0.40) ALDH1A1TSHR
SCHEMBL10544728 0.77 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL873725 0.76 TSHR (0.45) ALDH1A1TSHR
SCHEMBL8584569 0.74 TSHR (0.39) ALDH1A1TSHR
SCHEMBL17818667 0.74 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL28248737 0.73 TSHR (0.34) ALDH1A1TSHR
SCHEMBL31147038 0.73 TSHR (0.38) ALDH1A1TSHR
SCHEMBL11131461 0.73 ALDH1A1 (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867161-B1 Titanium catalyst and organotitanium reacting reagent, production thereof, and reaction thereby NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-15 US disclosed
EP-0820809-A1 TITANIUM CATALYST, ORGANOTITANIUM REACTION REAGENT, PROCESSES FOR PRODUCING THESE, AND METHOD OF REACTION USING THESE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-01-28 EP disclosed