SCHEMBL4639627

SCHEMBL4639627

CC(C#N)C(N)(CN)C(C)C#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL440679 0.67 ALDH1A1 (0.33)
SCHEMBL10338853 0.67 TSHR (0.37) TSHR
Hydrochloric Acid SCHEMBL28740641 0.65 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL7753407 0.65 ALDH1A1 (0.32)
SCHEMBL817374 0.65 ALDH1A1 (0.39)
SCHEMBL7772001 0.63 ALDH1A1 (0.30)
SCHEMBL530290 0.63 ALDH1A1 (0.30) TSHR
SCHEMBL15209462 0.61 TSHR (0.44) TSHR
SCHEMBL20111211 0.61
Ethylenediamine SCHEMBL9462003 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102838490-B Preparation method of N,N'-bis(3-aminopropyl)-1,2-ethylenediamine ZHANGJIAGANG DAWEI ASSISTANTS INDUSTRY CO LTD 2014-06-11 CN claimed
WO-2023078664-A1 ELECTRODEPOSITION COATING COMPOSITION AND ITS PREPARATION BASF COATINGS GMBH (DE) 2023-05-11 WO disclosed
CN-102838490-B Preparation method of N,N'-bis(3-aminopropyl)-1,2-ethylenediamine ZHANGJIAGANG DAWEI ASSISTANTS INDUSTRY CO LTD 2014-06-11 CN disclosed
EP-1955997-A1 Selective manufacture of N, N'-bis(cyanoethyl)-1,2-ethylenediamine and N,N'-bis(3-aminopropyl)-1,2-ethylenediamine Air Products and Chemicals, Inc. (US) 2008-08-13 EP disclosed
US-4552862-A Stabilized hydrogenation catalyst and method of forming the catalyst TEXACO INC. (US) 1985-11-12 US disclosed
US-4235730-A DISPERSANTS TEXACO INC. (US) 1980-11-25 US disclosed
US-4146560-A HYDROGENATION; COPPER-COBALT-CHROMIUM CATALYST TEXACO DEVELOPMENT CORP. (US) 1979-03-27 US disclosed