SCHEMBL640735

SCHEMBL640735

CCCCCCCCCCCCCCCCCCCCCCC(N)(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.50
FDPS P14324 2/20 0.50
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 8/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX1 P07099 1/20 0.45
GGPS1 O95749 1/20 0.42

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
SCHEMBL4974182 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL242456 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL2870110 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL2865214 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL868284 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL332048 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL2868221 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL8403723 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL7648793 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL333128 1.00 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753748-A MONOMER VEHICLE CONTAINING ATLEAST ONE POLYISOCYANTE ESTER MONOMER, CATIONIC SURFACTANTS AND METAL CATALYSTS QUANTUM MATERIALS, INC. (US) 1998-05-19 US claimed
US-5718941-A FOR ADHESIVE COMPOSITIONS QUANTUM MATERIALS, INC. (US) 1998-02-17 US claimed
WO-1996035760-A1 BLEED RESISTANT CYANATE ESTER-CONTAINING COMPOSITIONS QUANTUM MATERIALS, INC. (US) 1996-11-14 WO claimed
WO-2022137677-A1 LIQUID SKIN CLEANSER COMPOSITION ライオン株式会社 2022-06-30 WO disclosed
US-8119195-B2 Mixture containing quaternary ammonium compound and its use AKZO NOBEL N.V. (NL) 2012-02-21 US disclosed
US-20100267874-A1 MIXTURE CONTAINING QUATERNARY AMMONIUM COMPOUND AND ITS USE AKZO NOBEL N.V. (NL) 2010-10-21 US disclosed
US-5753748-A MONOMER VEHICLE CONTAINING ATLEAST ONE POLYISOCYANTE ESTER MONOMER, CATIONIC SURFACTANTS AND METAL CATALYSTS QUANTUM MATERIALS, INC. (US) 1998-05-19 US disclosed
US-5718941-A FOR ADHESIVE COMPOSITIONS QUANTUM MATERIALS, INC. (US) 1998-02-17 US disclosed
US-5646241-A ADHESIVES QUANTUM MATERIALS, INC. (US) 1997-07-08 US disclosed