Allylamine

Allylamine

SCHEMBL11208779

C=C(CCCC)C(=O)O.C=CCN.C=COC(C)=O

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
THRB P10828 1/20 0.33
PGGT1B P53609 1/20 0.33
CES1 P23141 1/20 0.31
FAAH O00519 1/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2991157 0.92 FNTA (0.37) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL322034 0.88 FNTA (0.43) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL3431574 0.79 FNTA (0.41) TSHRFNTAFNTBTHRBPGGT1B
Allylamine SCHEMBL27547794 0.79 ALDH1A1 (0.43) ALDH1A1
Methacrylic Acid SCHEMBL11253190 0.78 CAMK2A (0.33)
SCHEMBL5176148 0.78 FNTA (0.46) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL5176150 0.78 FNTA (0.46) TSHRFNTAFNTBTHRBPGGT1B
Valeric Acid SCHEMBL27259958 0.77 AKR1B1 (0.50) TSHRALDH1A1
SCHEMBL28115976 0.77 ALDH1A1 (0.35) TSHRCES1FAAHHPGDALDH1A1
Allylamine SCHEMBL27967189 0.77 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024688-B1 VINYL ACETATE COPOLYMER EMULSIONS FOR PAINT HAVING WET ADHESION PROPERTIES AIR PRODUCTS AND CHEMICALS, INC. (US) 1983-06-22 EP disclosed
US-4260533-A Vinyl acetate/allylic amine copolymer emulsions for paint having wet adhesion properties AIR PRODUCTS AND CHEMICALS, INC. (US) 1981-04-07 US disclosed
EP-0024688-A1 Vinyl acetate copolymer emulsions for paint having wet adhesion properties AIR PRODUCTS AND CHEMICALS, INC. (US) 1981-03-11 EP disclosed