SCHEMBL9633702

SCHEMBL9633702

C1CCCCC(P(C2CCCCCCCC2)C2CCCCCCCC2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MGLL Q99685 1/20 0.32
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL2449022 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL26953 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL301131 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL14675991 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL3175920 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL9634079 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL301767 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL5511391 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL22157999 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM
SCHEMBL3184929 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10MGLLGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
EP-0212991-B1 IMPROVED RHODIUM CATALYZED HYDROFORMYLATION OF ALPHA-SUBSTITUTED ALPHA-OLEFINS EXXON CHEMICAL PATENTS INC. (US) 1992-05-27 EP disclosed
EP-0195656-B1 IMPROVED RHODIUM CATALYZED HYDROFORMYLATION OF INTERNAL OLEFINS EXXON CHEMICAL PATENTS INC. (US) 1990-09-26 EP disclosed
EP-0212991-A1 Improved rhodium catalyzed hydroformylation of alpha-substituted alpha-olefins EXXON CHEMICAL PATENTS INC. (US) 1987-03-04 EP disclosed
US-4642388-A TRICYLLOALKYL PHOSPHINE LIGANDS, HIGH SELECTIVITY EXXON CHEMICAL PATENTS INC. (US) 1987-02-10 US disclosed
US-4625068-A STERICALLY HINDERED PHOSPHINE LIGNANDS; CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1986-11-25 US disclosed