SCHEMBL9322010

SCHEMBL9322010

NCCCOCCOCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.63
KCNA3 P22001 1/20 0.58
LTA4H P09960 1/20 0.55
PLA2G2A P14555 1/20 0.55

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
SCHEMBL2125376 1.00 TAAR1 (0.63) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL1320595 0.89 TAAR1 (0.77) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL14223538 0.88 TAAR1 (0.75) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL8555021 0.88 TAAR1 (0.75) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL8037942 0.88 TAAR1 (0.75) TAAR1KCNA3LTA4HPLA2G2A
Bromide SCHEMBL8060174 0.87 TAAR1 (0.74) TAAR1KCNA3LTA4HPLA2G2A
Hydrochloric Acid SCHEMBL3541189 0.87 TAAR1 (0.74) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL2481801 0.85 KCNA3 (0.70) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL5067163 0.85 KCNA3 (0.70) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL148066 0.85 KCNA3 (0.70) TAAR1KCNA3LTA4HPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361230-B1 Mixtures from polyamides, aromatic polycarbonates and maleic imide copolymeres and use of them as thermoplastic moulding compositions BAYER AG (DE) 1994-01-12 EP disclosed
EP-0260685-B1 INTERNAL MOULD RELEASE AGENTS, THEIR USE IN THE PREPARATION OF MOULDED PIECES ACCORDING TO THE POLYISOCYANATE-POLYADDITION PROCESS, AND PROCESS FOR THE PREPARATION OF MOULDED PIECES BASF Aktiengesellschaft (DE) 1991-09-04 EP disclosed
US-4764537-A KETIMINE, ALDIMINE, ENAMINE OR CYCLIC SCHIFF BASE, METAL SALT OF CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
EP-0260685-A1 Internal mould release agents, their use in the preparation of moulded pieces according to the polyisocyanate-polyaddition process, and process for the preparation of moulded pieces BASF Aktiengesellschaft (DE) 1988-03-23 EP disclosed
US-4157893-A MONO OR DISAZO DYE CONTAINING AN AMINO-SUBSTITUTED PYRIMIDINE RING BASF AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed
US-4150943-A Uniformly dyed water-swellable cellulosic fibers BASF AKTIENGESELLSCHAFT (DE) 1979-04-24 US disclosed
US-4146535-A Azo dyes having a 3-cyano- or 3-carbamoyl-2,6-diamino-pyridine coupling component BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed