SCHEMBL4613057

SCHEMBL4613057

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL18759599 0.84 TDP1 (0.32) TDP1ALDH1A1HSD17B10
SCHEMBL11650478 0.80 HSD17B10 (0.39) TDP1HSD17B10
SCHEMBL8060370 0.77 TSHR (0.30)
SCHEMBL27956861 0.75 KISS1R (0.31) KISS1R
SCHEMBL2470752 0.74 ALDH1A1 (0.57) KISS1RTDP1ALDH1A1
SCHEMBL20530439 0.74 ALDH1A1 (0.57) KISS1RTDP1ALDH1A1
SCHEMBL1284754 0.74
SCHEMBL9630938 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10868575 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9628964 0.73 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074541-B1 Method for manufacturing aminoalcohol KURARAY CO LTD KURASHIKI PLANT (JP) 2008-10-22 EP disclosed
US-6331650-B1 Method for manufacturing aminoalcohol KURARAY CO., LTD. (JP) 2001-12-18 US disclosed
JP-2001055353-A PRODUCTION OF DIOL, INTERMEDIATE USEFUL THEREFOR AND ITS PRODUCTION KURARAY CO LTD 2001-02-27 JP disclosed
EP-1074541-A1 Method for manufacturing aminoalcohol Kuraray Co., Ltd., Kurashiki Plant (JP) 2001-02-07 EP disclosed
US-4609754-A UNSATURATED ALCOHOL AND KETO ESTER INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-09-02 US disclosed
US-4560499-A Isosolanone and solanone intermediates and organoleptic uses INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-12-24 US disclosed
US-4476147-A Flavoring of alliaceous-flavored foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-10-09 US disclosed
US-4433695-A Process for the production of isosolanone and solanone, intermediates useful in said process and organoleptic uses of said intermediates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-02-28 US disclosed