SCHEMBL9578903

SCHEMBL9578903

CC(=O)/C=C/C[C@H](C)CCC=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ GGPS1 O95749 2/20 0.38
▸ FDPS P14324 2/20 0.38
▸ NFE2L2 Q16236 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ GLA P06280 2/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL7933532 1.00 ALOX15 (0.50) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL9578905 1.00 ALOX15 (0.50) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL7933530 1.00 ALOX15 (0.50) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL1150421 0.87 ALOX15 (0.49) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL523093 0.87 ALOX15 (0.49) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL523092 0.87 ALOX15 (0.49) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL1150423 0.87 ALOX15 (0.49) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL11861700 0.87 ALOX15 (0.57) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL11861697 0.87 ALOX15 (0.57) ALOX15ALDH1A1USP2TSHRFNTA
SCHEMBL11850606 0.86 ALOX15 (0.45) ALOX15ALDH1A1USP2TSHRFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935176-B1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP ASSETS BV (NL) 2018-08-01 — — EP claimed
EP-2935176-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP Assets B.V. (NL) 2015-10-28 — — EP claimed
WO-2014096066-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP ASSETS B.V. (NL) 2014-06-26 — — WO claimed
JP-1016738-A — — None — — JP disclosed
EP-2935176-B1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP ASSETS BV (NL) 2018-08-01 — — EP disclosed
EP-2935176-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP Assets B.V. (NL) 2015-10-28 — — EP disclosed
WO-2014096066-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP ASSETS B.V. (NL) 2014-06-26 — — WO disclosed
EP-0295531-B1 HYDROGENATION PROCESS F. HOFFMANN-LA ROCHE AG (CH) 1993-03-24 — — EP disclosed
US-5132464-A For unsaturated ketones, Raney nickel catalyst or platinum catalyst on calcium carbonate or on carbon HOFFMANN-LA ROCHE, INC. (US) 1992-07-21 — — US disclosed
US-4882441-A VITAMIN E DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1989-11-21 — — US disclosed
US-4879395-A Vitamin E intermediate HOFFMANN-LA ROCHE INC. (US) 1989-11-07 — — US disclosed
US-4853472-A Vitamin E intermediates HOFFMANN-LA ROCHE INC. (US) 1989-08-01 — — US disclosed
EP-0295531-A2 Hydrogenation process F. HOFFMANN-LA ROCHE AG (CH) 1988-12-21 — — EP disclosed
US-4789750-A 2-(trimethyl-tridecenyl)-tetramethylchroman intermediates for vitamin E HOFFMAN-LA ROCHE INC. (US) 1988-12-06 — — US disclosed
EP-0283946-A1 Novel intermediates useful in preparing vitamin E F. HOFFMANN-LA ROCHE AG (CH) 1988-09-28 — — EP disclosed
Send feedback