SCHEMBL21377482

SCHEMBL21377482

CCCCC(C)Cc1sccc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.32
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL23877290 0.85 GLA (0.38) BDKRB2GLATSHRHTTL3MBTL1
SCHEMBL23877275 0.82 TSHR (0.42) BDKRB2GLATSHRHTTL3MBTL1
SCHEMBL21377590 0.80 SLC6A3 (0.35) BDKRB2GLATSHRHTTL3MBTL1
SCHEMBL28614181 0.73 GLA (0.33) GLATSHRHTTL3MBTL1
SCHEMBL23663646 0.72 TSHR (0.39) GLATSHRHTTL3MBTL1
SCHEMBL25871462 0.72 HTR2A (0.41) TSHRHTT
SCHEMBL13845083 0.70
SCHEMBL23663647 0.70 SLC6A4 (0.35) BDKRB2GLATSHRHTTL3MBTL1
SCHEMBL27420635 0.69
SCHEMBL10496977 0.69 CYP2C19 (0.44) GLATSHRHTTL3MBTL1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019177284-A1 POLYMER AND ORGANIC SOLAR CELL COMPRISING SAME 주식회사 엘지화학 2019-09-19 WO disclosed