SCHEMBL29026720

SCHEMBL29026720

C=CCCCC(=O)OC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
LMNA P02545 2/20 0.72
TSHR P16473 4/20 0.52
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OXER1 Q8TDS5 2/20 0.37
EPHX2 P34913 1/20 0.37
ALOX5 P09917 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL514869 0.92
SCHEMBL515390 0.86 ALDH1A1 (0.96) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL28223480 0.85 LMNA (0.72) ALDH1A1LMNATSHRMAPTUSP2
SCHEMBL515291 0.84 LMNA (1.00) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL346766 0.84 LMNA (1.00) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL3034063 0.84 LMNA (1.00) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL817047 0.84 LMNA (1.00) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL21352704 0.84 LMNA (1.00) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL21352709 0.84 LMNA (1.00) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL196188 0.84 LMNA (1.00) ALDH1A1LMNATSHRMAPTABCC4

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
CN-116375749-A Trans-alkenyl potassium trifluoroborate and synthesis method thereof 西安近代化学研究所 2023-07-04 CN disclosed