SCHEMBL6864749

SCHEMBL6864749

CC(N)CN.NCCCN

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
NFKB1 P19838 1/20 0.40
DNM1 Q05193 5/20 0.38
TSHR P16473 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.35

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
Putrescine SCHEMBL905622 0.93 ALDH1A1 (0.71) ALDH1A1NFKB1DNM1TSHRCA12
Diaminooctane SCHEMBL10886230 0.90 ALDH1A1 (0.67) ALDH1A1NFKB1DNM1TSHRCA12
SCHEMBL10816765 0.90 ALDH1A1 (0.67) ALDH1A1NFKB1DNM1TSHRCA12
SCHEMBL9318809 0.90 ALDH1A1 (0.67) ALDH1A1NFKB1DNM1TSHRCA12
SCHEMBL28603683 0.90 ALDH1A1 (0.67) ALDH1A1NFKB1DNM1TSHRCA12
SCHEMBL29092417 0.85
Ethylenediamine SCHEMBL4626626 0.85
SCHEMBL27327 0.84
SCHEMBL175732 0.84 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1OPRM1
SCHEMBL757716 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800608-B2 PREPARATION OF STABILIZED GLYCOPEPTIDE ANTIBIOTIC CONJUGATE; FORM GLYCOPEPTIDE ANTIBIOTIC, MIX WITH STABILIZING AGENT THAT PREVENTS DIMERIZATION, HEAT, STORE IN DILUENT BUFFER BECKMAN COULTER, INC. 2004-10-05 US claimed
US-20030077670-A1 Homogeneous assay of vancomycin using a stable particle-vancomycin conjugate, a novel rate enhancer, and a novel dose response modulator BECKMAN COULTER, INC. 2003-04-24 US claimed
US-20240052090-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ARKEMA FRANCE (FR) 2024-02-15 US disclosed
CN-85102685-B Method for producing anti-skid paint SCHERING AG (DE) 1987-10-14 CN disclosed
EP-0066970-B1 AMINE TERMINATED POLYALKYLENE OXIDE NEUTRALIZED SULFONATED THERMOPLASTIC POLYMERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-01-15 EP disclosed
US-4156040-A Coagulation coating process FORD MOTOR COMPANY (US) 1979-05-22 US disclosed