SCHEMBL8740790

SCHEMBL8740790

COc1cc(C(OC)OC)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
BLM P54132 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.59
PMP22 Q01453 1/20 0.57
MAOB P27338 1/20 0.55
BCHE P06276 2/20 0.53
TYR P14679 2/20 0.53
ACHE P22303 2/20 0.53
SLC22A3 O75751 1/20 0.53
CYP19A1 P11511 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
FOS P01100 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.49
NR3C1 P04150 1/20 0.49
HSD17B1 P14061 1/20 0.49

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
SCHEMBL31651462 1.00 TSHR (0.64) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL18539377 0.84 TUBB1 (0.57) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL1595549 0.83 TSHR (0.65) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL20563424 0.83 TSHR (0.65) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL30343472 0.83 TSHR (0.65) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL14515694 0.82 TSHR (0.59) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL30474606 0.82 TSHR (0.59) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL15677116 0.82 TSHR (0.64) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL9685352 0.82 GAA (0.51) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL5382223 0.82 TSHR (0.58) TSHRBLMNPSR1CYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US claimed
EP-0625905-A4 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE. MENNEN CO (US) 1997-02-26 EP claimed
EP-0625905-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-11-30 EP claimed
WO-1994006441-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-03-31 WO claimed
CN-118925758-A Biomass carbon-based bifunctional catalyst, preparation method and application thereof in preparing aldehyde and acetal by oxidizing primary alcohol 南京林业大学 2024-11-12 CN disclosed
US-9187444-B2 Process for converting bio-oil UPM-KYMMENE CORPORATION (FI) 2015-11-17 US disclosed
US-9187444-B2 Process for converting bio-oil UPM-KYMMENE CORPORATION (FI) 2015-11-17 US disclosed
EP-2774969-A1 Process for converting bio-oil UPM-Kymmene Corporation (FI) 2014-09-10 EP disclosed
US-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US disclosed
EP-0625905-A4 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE. MENNEN CO (US) 1997-02-26 EP disclosed
US-5378468-A Orthoester which produces a fragrant material by hydrolysis at the ph of the skin when applied; deodorant sticks THE MENNEN COMPANY (US) 1995-01-03 US disclosed
EP-0625905-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-11-30 EP disclosed
WO-1994006441-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-03-31 WO disclosed
EP-0506231-A1 Smoking composition containing a flavorant-release saccharide additive Philip Morris Products Inc. (US) 1992-09-30 EP disclosed