SCHEMBL4352968

SCHEMBL4352968

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6674971 0.84 TSHR (0.35) SMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL2010473 0.83
SCHEMBL28349167 0.82 SMN1; SMN2 (0.32) PTGS1SMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL4350920 0.81 PTGS1 (0.30) PTGS1
SCHEMBL30457813 0.76 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL2560726 0.70 TSHR (0.38) SMN1; SMN2ALDH1A1TSHRTDP1
Bicarbonate SCHEMBL21834047 0.69 TSHR (0.34) ALDH1A1TSHRTDP1
Acetic Acid SCHEMBL29229984 0.69 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL4531238 0.69 AKR1B1 (0.40) ALDH1A1TSHRTDP1
SCHEMBL10013986 0.68 TSHR (0.47) PTGS1TSHR

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
EP-1999169-B1 CONTINUOUS PROCESS FOR THE PRODUCTION OF VINYL CHLORIDE (CO)POLYMERS AKZO NOBEL CHEMICALS INT BV (NL) 2016-08-24 EP disclosed
US-RE45940-E1 Continuous process for the production of vinyl chloride (co)polymers AKZO NOBEL N.V. (NL) 2016-03-22 US disclosed
US-8466246-B2 Continuous process for the production of vinyl chloride (co)polymers AKZO NOBEL N.V. (NL) 2013-06-18 US disclosed
US-20090281255-A1 CONTINUOUS PROCESS FOR THE PRODUCTION OF VINYL CHLORIDE (CO)POLYMERS AKZO NOBEL N.V. (NL) 2009-11-12 US disclosed