SCHEMBL3133413

SCHEMBL3133413

CCCCCCCCCCCCCCCCCCNCN

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
ALDH1A1 P00352 2/20 0.63
EPHX1 P07099 3/20 0.50
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 1/20 0.50
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR2 O95136 3/20 0.45
S1PR4 O95977 3/20 0.45
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 3/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL5564899 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28389026 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL8640187 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7190942 1.00
SCHEMBL28363817 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL25230203 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL15694637 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL22557627 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL22627533 1.00 TSHR (0.63) TSHRALDH1A1EPHX1ADH1BADH1C
Bromide SCHEMBL29170458 0.97 TSHR (0.60) TSHRALDH1A1EPHX1ADH1BADH1C

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-7641950-B2 Polyester/polyamide blend having improved flavor retaining property and clarity EASTMAN CHEMICAL COMPANY (US) 2010-01-05 US disclosed
US-20080118690-A1 POLYESTER/POLYAMIDE BLEND HAVING IMPROVED FLAVOR RETAINING PROPERTY AND CLARITY EASTMAN CHEMICAL COMPANY (US) 2008-05-22 US disclosed
US-7375154-B2 Polyester/polyamide blend having improved flavor retaining property and clarity EASTMAN CHEMICAL COMPANY (US) 2008-05-20 US disclosed
US-20060122306-A1 Polyester/polyamide blend having improved flavor retaining property and clarity EASTMAN CHEMICAL COMPANY 2006-06-08 US disclosed
US-5076855-A METHOD OF THE CLEANING AGENT FOR CLEANING OF COMPRESSORS ESPECIALLY GAS TURBINES LANG & CO. CHEMISCH-TECHNISCHE PRODUKTE KOMMANDITGESELLSCHAFT (AT) 1991-12-31 US disclosed
EP-0425853-A2 Aqueous cleaning agent for compressors, particularly gas turbines Lang & Co., chemisch-technische Produkte Kommanditgesellschaft (AT) 1991-05-08 EP disclosed
EP-0392171-A2 Foamable thermosetting polyurethane structural adhesive compositions and processes for producing the same RHEOX INTERNATIONAL, INC. (US) 1990-10-17 EP disclosed
EP-0392170-A2 Thermosetting polyurethane adhesive compositions and processes for producing the same RHEOX INTERNATIONAL, INC. (US) 1990-10-17 EP disclosed
EP-0352671-A2 Binders for electrodeposition coating which are water thinable by protonating with acids for the preparation of thick coatings BASF Lacke + Farben AG (DE) 1990-01-31 EP disclosed