SCHEMBL901056

SCHEMBL901056

O=COCc1ccccc1.O=COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
Benzene SCHEMBL25178056 1.00 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL503 1.00 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL4515729 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
Ammonia Solution, Strong SCHEMBL27281123 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
Fluoride SCHEMBL27488772 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL28997098 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
Hydrochloric Acid SCHEMBL4378719 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
Water SCHEMBL28793674 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
Hydrochloric Acid SCHEMBL28319163 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL28208369 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1

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
CN-113121357-B 2-nitrovinyl cyclopropane compound and synthesis method thereof 上海大学 2023-05-16 CN disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
EP-3541435-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR Firmenich SA (CH) 2019-09-25 EP disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
WO-2018091686-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH SA (CH) 2018-05-24 WO disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 WO disclosed