SCHEMBL16619850

SCHEMBL16619850

COc1cc(C=O)cc(OC)c1OC.COc1cc(C=O)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 1/20 0.59
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP1B1 Q16678 1/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
HTR1A P08908 1/20 0.55
HTR2C P28335 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TUBB4A P04350 4/20 0.53
TUBB P07437 4/20 0.53
TUBA3C P0DPH7 4/20 0.53
TUBA1B P68363 4/20 0.53
TUBA4A P68366 4/20 0.53
TUBB4B P68371 4/20 0.53
TUBB3 Q13509 4/20 0.53
TUBB2A Q13885 4/20 0.53

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
SCHEMBL96635 1.00 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL23711567 0.98 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL28788062 0.90 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
Alcohol SCHEMBL28096074 0.90 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
Phosphoric Acid SCHEMBL26634475 0.90 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL17655658 0.89 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL30634410 0.88 ALDH1A1 (0.54) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL9135687 0.88 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL5045913 0.87 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL28944930 0.87 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197422-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS The Procter & Gamble Company (US) 2017-08-02 EP disclosed
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP disclosed
EP-3197424-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3052605-A1 COMPOSITIONS COMPRISING HYDROPHOBICALLY MODIFIED POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS The Procter & Gamble Company (US) 2016-08-10 EP disclosed
EP-3052147-A1 COMPOSITIONS COMPRISING POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS The Procter & Gamble Company (US) 2016-08-10 EP disclosed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049394-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049398-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2015050916-A1 COMPOSITIONS COMPRISING HYDROPHOBICALLY MODIFIED POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2015-04-09 WO disclosed
WO-2015050915-A1 COMPOSITIONS COMPRISING POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2015-04-09 WO disclosed