SCHEMBL4608718

SCHEMBL4608718

N#CCCCCO[PH](=O)OCCCCC#N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL11388050 0.93 TSHR (0.36) TSHRALDH1A1TDP1
SCHEMBL11363024 0.91 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL27957317 0.83 TSHR (0.39) TSHR
SCHEMBL8034932 0.82 ALDH1A1 (0.37) TSHRALDH1A1TDP1
SCHEMBL28167764 0.82 TSHR (0.32) TSHR
SCHEMBL21902646 0.79 TSHR (0.44) TSHRALDH1A1
SCHEMBL10586340 0.77 TSHR (0.33) TSHR
SCHEMBL29285235 0.73 MEN1 (0.33) TSHR
SCHEMBL26212788 0.73 TSHR (0.30) TSHR
SCHEMBL1460543 0.71 TSHR (0.43) TSHRALDH1A1TDP1MAPT

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-0930347-B1 RUST-PREVENTIVE PIGMENT COMPOSITION AND RUST-PREVENTIVE PAINTS CONTAINING THE SAME NIPPON CHEMICAL IND COMPANY LT (JP) 2008-10-08 EP disclosed
US-6139616-A Rust-preventive pigment composition and rust-preventive paints containing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD (JP) 2000-10-31 US disclosed
EP-0930347-A1 RUST-PREVENTIVE PIGMENT COMPOSITION AND RUST-PREVENTIVE PAINTS CONTAINING THE SAME NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) 1999-07-21 EP disclosed