SCHEMBL10998618

SCHEMBL10998618

CC1(C)C(C(=O)OC(=O)C2C(C)(C)C2(C)C)C1(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5706652 0.81 HTT (0.41) ALDH1A1TSHR
SCHEMBL3688695 0.73 LMNA (0.46) ALDH1A1TSHR
SCHEMBL15977320 0.73 TSHR (0.42) ALDH1A1TSHR
SCHEMBL13006927 0.67 FFAR3 (0.33) FFAR3TSHR
SCHEMBL221717 0.67 APLNR (0.41) FFAR3
SCHEMBL2516720 0.65 FFAR3 (0.32) FFAR3
Hydrochloric Acid SCHEMBL8617904 0.65 APLNR (0.39) FFAR3
Methane SCHEMBL3337389 0.65 APLNR (0.39) FFAR3
SCHEMBL2516721 0.65 GAA (0.39) FFAR3ALDH1A1
SCHEMBL926785 0.65 FFAR3 (0.32) FFAR3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175094-A REACTING AN AROMATIC ALDEHYDE AND AN ACID ANHYDRIDE SHELL OIL COMPANY (US) 1979-11-20 US claimed
US-4496586-A Cyclopropanecarboxylates, their production and insecticide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-29 US disclosed
EP-0050454-B1 NEW CYCLOPROPANECARBOXYLATES, THEIR PRODUCTION AND INSECTICIDE CONTAINING THEM AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-29 EP disclosed
EP-0050454-A1 New cyclopropanecarboxylates, their production and insecticide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-28 EP disclosed
US-4175094-A REACTING AN AROMATIC ALDEHYDE AND AN ACID ANHYDRIDE SHELL OIL COMPANY (US) 1979-11-20 US disclosed
EP-0002288-A1 Process for the preparation of alpha-cyanobenzyl esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-06-13 EP disclosed