SCHEMBL5596749

SCHEMBL5596749

C=CCCCC(N)CCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ALDH1A1 P00352 2/20 0.52
S1PR2 O95136 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
OPRM1 P35372 1/20 0.43
SPHK1 Q9NYA1 2/20 0.41
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL9979412 0.96 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL3670005 0.96 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL11764042 0.96 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL8430095 0.96 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL31035758 0.96 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL28532183 0.92 TSHR (0.60) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL28719109 0.91 TSHR (0.56) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL27559837 0.89 TSHR (0.56) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL3693109 0.89 TSHR (0.50) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL3693113 0.89 TSHR (0.50) TSHRALDH1A1S1PR2S1PR1S1PR3

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-8273819-B2 Non-gellable and pumpable concentrated binder for bitumen/polymer TOTAL RAFFINAGE MARKETING (FR) 2012-09-25 US disclosed
US-20110319533-A1 NON-GELLABLE AND PUMPABLE CONCENTRATED BINDER FOR BITUMEN/POLYMER TOTAL RAFFINAGE MARKETING (FR) 2011-12-29 US disclosed
EP-1756228-A1 CHEMICAL-ATTACK-RESISTANT BITUMEN/POLYMER COMPOSITION AND COATING OBTAINED FROM A COATING MATERIAL COMPRISING SAID COMPOSITION Total France (FR) 2007-02-28 EP disclosed
WO-2005105926-A1 CHEMICAL-ATTACK-RESISTANT BITUMEN/POLYMER COMPOSITION AND COATING OBTAINED FROM A COATING MATERIAL COMPRISING SAID COMPOSITION TOTAL FRANCE (FR) 2005-11-10 WO disclosed