SCHEMBL9752213

SCHEMBL9752213

CC[P+](CC)(CC)c1ccccc1.O=B[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PSIP1 O75475 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIN1 Q13526 1/20 0.32
NPC1 O15118 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
Water SCHEMBL2822588 0.84 HIF1A (0.43) HIF1ALMNAESR1MEN1KMT2A
Fluoride Ion SCHEMBL4618615 0.84 HIF1A (0.43) HIF1ALMNAESR1MEN1KMT2A
Hydrochloric Acid SCHEMBL2965186 0.84 HIF1A (0.43) HIF1ALMNAESR1MEN1KMT2A
SCHEMBL9752172 0.84 HIF1A (0.43) HIF1ALMNAESR1MEN1KMT2A
Iodide SCHEMBL5085335 0.84 HIF1A (0.43) HIF1ALMNAESR1MEN1KMT2A
Bromide SCHEMBL679805 0.84 HIF1A (0.43) HIF1ALMNAESR1MEN1KMT2A
SCHEMBL8206187 0.83 LMNA (0.39) HIF1ALMNAMEN1KMT2ACES2
Oxalic Acid SCHEMBL1049238 0.81 CES2 (0.41) LMNAMEN1KMT2ACES2CES1
SCHEMBL9752189 0.75 HIF1A (0.35) HIF1ALMNAESR1TSHRALDH1A1
Benzil SCHEMBL21852689 0.74 CES2 (0.54) LMNAMEN1KMT2ACES2CES1

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
WO-1991001391-A1 PRODUCTION OF METAL BOROHYDRIDES AND ORGANIC ONIUM BOROHYDRIDES SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1991-02-07 WO disclosed
WO-1990015170-A1 PRODUCTION OF QUATERNARY AMMONIUM AND QUATERNARY PHOSPHONIUM BOROHYDRIDES SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-12-13 WO disclosed
US-4931154-A Production of metal borohydrides and organic onium borohydrides SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-06-05 US disclosed
US-4904357-A Production of quaternary ammonium and quaternary phosphonium borohydrides SOUTHWESTERN ANALYTICAL (US) 1990-02-27 US disclosed