Allylamine

Allylamine

SCHEMBL5134763

C=CCN.CCC.CCC.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
GABRR1 P24046 1/20 0.32
LPAR3 Q9UBY5 1/20 0.31
TSHR P16473 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
Allylamine SCHEMBL5134150 0.91 ALDH1A1 (0.60) ALDH1A1GABRR1LPAR3TSHR
Propane SCHEMBL11440074 0.80 LPAR3 (0.32) LPAR3TSHR
Allylamine SCHEMBL28710937 0.80 ALDH1A1 (0.53) ALDH1A1LPAR3TSHR
Allylamine SCHEMBL5134152 0.80
Propene SCHEMBL11444770 0.79 ALPG (0.30) ALDH1A1LPAR3TSHR
Propane SCHEMBL28359585 0.78 LPAR3 (0.31) LPAR3TSHR
Propene SCHEMBL11440607 0.77
Methane SCHEMBL11453656 0.77 TSHR (0.33) ALDH1A1LPAR3TSHR
Ethane SCHEMBL11438059 0.77 TSHR (0.33) ALDH1A1LPAR3TSHR
Allylamine SCHEMBL4891773 0.76 ALDH1A1 (0.64) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404624-B2 Antiwear lubricant compositions for use in combustion engines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2013-03-26 US claimed
EP-1861485-B1 ANTIWEAR LUBRICANT COMPOSITIONS FOR USE IN COMBUSTION ENGINES BASF SE (DE) 2019-05-22 EP disclosed
US-8404624-B2 Antiwear lubricant compositions for use in combustion engines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2013-03-26 US disclosed
US-20080312115-A1 Antiwear Lubricant Compositions for Use in Combustion Engines CIBA SPECIALTY CHEMICALS CORPORATION 2008-12-18 US disclosed