SCHEMBL9770253

SCHEMBL9770253

CCCC(C=O)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 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
SCHEMBL28176167 0.83 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1
SCHEMBL2728927 0.82 TSHR (0.54) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL13042431 0.81 TSHR (0.41) TSHRSMN1; SMN2CTSKALDH1A1
SCHEMBL12654610 0.81 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1
SCHEMBL1389490 0.81 TSHR (0.46) TSHRSMN1; SMN2CTSKALDH1A1
SCHEMBL514688 0.81
SCHEMBL276530 0.81 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1ADH1BADH1C
SCHEMBL1390067 0.80 TSHR (0.44) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL4634662 0.79
SCHEMBL15786335 0.78 TSHR (0.35) TSHRSMN1; SMN2ALDH1A1ADH1BADH1C

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-5072057-A Isomeric alcohol mixture for producing plasticizers and surfac tants EXXON RESEARCH & ENGINEERING CO. (US) 1991-12-10 US disclosed
US-5030774-A Reacting petroleum distillates with carbon monoxide and hydrogen to form aldehyde in presence of carbonyl compounds hydrogenation to form alcohols EXXON RESEARCH AND ENGINEERING CO. (US) 1991-07-09 US disclosed
US-4922028-A Process for the hydroformylation of sulfur-containing thermally cracked petroleum residue and novel products thereof EXXON RESEARCH & ENGINEERING COMPANY (US) 1990-05-01 US disclosed
EP-0329670-A1 A PROCESS FOR THE HYDROFORMYLATION OF SULFUR-CONTAINING THERMALLY CRACKED PETROLEUM RESIDUA AND NOVEL PRODUCTS THEREOF. EXXON RESEARCH ENGINEERING CO (US) 1989-08-30 EP disclosed
EP-0329670-A4 A PROCESS FOR THE HYDROFORMYLATION OF SULFUR-CONTAINING THERMALLY CRACKED PETROLEUM RESIDUA AND NOVEL PRODUCTS THEREOF. EXXON RESEARCH ENGINEERING CO (US) 1989-08-16 EP disclosed
WO-1988002360-A1 A PROCESS FOR THE HYDROFORMYLATION OF SULFUR-CONTAINING THERMALLY CRACKED PETROLEUM RESIDUA AND NOVEL PRODUCTS THEREOF EXXON RESEARCH AND ENGINEERING COMPANY (US) 1988-04-07 WO disclosed