SCHEMBL16045720

SCHEMBL16045720

CC(C)(C)C(C(=O)C(=O)O)(C(=O)C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL27968507 0.88 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL271740 0.72
SCHEMBL374743 0.72 TSHR (0.50) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL16974439 0.69 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL2390662 0.69 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL28446602 0.69 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
Water SCHEMBL11633420 0.69 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL21269240 0.69 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL21268913 0.69 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL860611 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-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
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed