SCHEMBL8619794

SCHEMBL8619794

CCC(C)C1(C(C)CC)CCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
HSD17B3 P37058 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
SCHEMBL8622752 0.94 GRIN2D (0.35) CYP19A1
SCHEMBL8621457 0.87 CYP19A1 (0.35) CYP19A1HSD17B3
SCHEMBL8622849 0.78
SCHEMBL10017778 0.73 CYP19A1 (0.31) CYP19A1
SCHEMBL8624879 0.71 ALDH1A1 (0.33) CYP19A1
SCHEMBL10032695 0.66
SCHEMBL20494599 0.64 MME (0.34)
SCHEMBL8624485 0.64 GRIN2D (0.36)
SCHEMBL8619365 0.64 CYP19A1 (0.32) CYP19A1
SCHEMBL9360077 0.64 CYP19A1 (0.34) CYP19A1HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852221-A Optically active β-aminoalkoxyborane complex NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-12-22 US disclosed
US-5808098-A REDUCING AGENT FROM AMINOALCOHOL NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-09-15 US disclosed
EP-0680484-B1 OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEXES NISSAN CHEMICAL IND LTD (JP) 1998-08-19 EP disclosed
US-5786485-A REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5767277-A REDUCING AGENT FOR A CARBONYL COMPOUND TO PRODUCE A 1,3-SYN-DIOL COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-06-16 US disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 US disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 US disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 WO disclosed