SCHEMBL15853019

SCHEMBL15853019

CC(C)(C)N(c1ccccc1F)c1cc(-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.34
ACLY P53396 2/20 0.32
RPS6KA3 P51812 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
SCHEMBL15853014 1.00 TACR1 (0.34) TACR1ACLYRPS6KA3
SCHEMBL15853029 0.93 TACR1 (0.36) TACR1ACLYRPS6KA3
SCHEMBL15853025 0.93 TACR1 (0.36) TACR1ACLYRPS6KA3
SCHEMBL15852993 0.93 TACR1 (0.37) TACR1ACLYRPS6KA3
SCHEMBL15853055 0.90 AKR1C3 (0.36) TACR1
SCHEMBL15853051 0.90 AKR1C3 (0.36) TACR1
SCHEMBL15853034 0.88 PPARG (0.37) TACR1ACLY
SCHEMBL15853039 0.88 PPARG (0.37) TACR1ACLY
SCHEMBL15853080 0.87 ESR1 (0.35) TACR1
SCHEMBL15853075 0.87 ESR1 (0.35) TACR1

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
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed