SCHEMBL8140495

SCHEMBL8140495

CC(CN=NC(C)(C(=O)O)C(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL1521232 0.77 TSHR (0.38) CYP1A2
SCHEMBL6862335 0.77 TSHR (0.38) CYP1A2
SCHEMBL541691 0.75 GABRR1 (0.46) GABRR1CYP1A2
SCHEMBL9717310 0.72 ACACB (0.35) GABRR1CYP1A2
Nitrous Acid SCHEMBL4311801 0.71 GABRR1 (0.42) GABRR1CYP1A2
SCHEMBL315822 0.70 ENPEP (0.32) GABRR1CYP1A2
SCHEMBL37014 0.70 ALDH1A1 (0.32)
SCHEMBL6667547 0.70 ALDH1A1 (0.32)
SCHEMBL5332294 0.69
SCHEMBL811984 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136488-A A FLASH FIXING TONER COMPRISING A BINDING RESIN, A COLORING AGENT AND AN INFRA RED ABSORBENT WHICH HAS THE LARGEST ABSORPTION WAVELENGTH IN THE RANGE OF 750-1100NM AND SOLUBLE IN BINDING RESIN AND BEING INCORPORATED IN THE TONER NIPPON SHOKUBAI CO., LTD. (JP) 2000-10-24 US disclosed
EP-0892312-A2 Flash fixing toner NIPPON SHOKUBAI CO., LTD. (JP) 1999-01-20 EP disclosed