SCHEMBL8919199

SCHEMBL8919199

CC(C)(C)c1cccc2c1C1(NC2=N)OCCO1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 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
SCHEMBL8919202 0.81 CA2 (0.31) CA2
SCHEMBL8922914 0.80 DAO (0.35)
SCHEMBL8919835 0.78 CA2 (0.31) CA2
SCHEMBL8919799 0.76 NSD2 (0.35)
SCHEMBL8919955 0.72 ALDH1A1 (0.36)
SCHEMBL8920911 0.72 DDB1 (0.33)
SCHEMBL8920443 0.72
SCHEMBL7815267 0.72 CA2 (0.33) CA2
SCHEMBL7829348 0.69 NLRP3 (0.31) CA2
SCHEMBL8920206 0.69 NPC1 (0.32)

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-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
CN-1114431-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS (JP) 1996-01-03 CN disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed