SCHEMBL9752172

SCHEMBL9752172

CC[P+](CC)(CC)c1ccccc1.[BH4-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.39
ESR1 P03372 1/20 0.36
TRPA1 O75762 2/20 0.35
TSHR P16473 2/20 0.34
MIF P14174 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
PSIP1 O75475 1/20 0.33

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
Bromide SCHEMBL679805 0.94 HIF1A (0.43) HIF1ALMNATP53ESR1TRPA1
Fluoride Ion SCHEMBL4618615 0.94 HIF1A (0.43) HIF1ALMNATP53ESR1TRPA1
Hydrochloric Acid SCHEMBL2965186 0.94 HIF1A (0.43) HIF1ALMNATP53ESR1TRPA1
Water SCHEMBL2822588 0.94 HIF1A (0.43) HIF1ALMNATP53ESR1TRPA1
Iodide SCHEMBL5085335 0.94 HIF1A (0.43) HIF1ALMNATP53ESR1TRPA1
SCHEMBL9752213 0.84 HIF1A (0.36) HIF1ALMNATP53ESR1TSHR
SCHEMBL8206187 0.84 LMNA (0.39) HIF1ALMNAMEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL1049238 0.82 CES2 (0.41) LMNATSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5180858 0.80 HIF1A (0.42) HIF1ALMNATP53ESR1TRPA1
Hydrochloric Acid SCHEMBL11787411 0.79 TRPA1 (0.42) TP53TRPA1MAOACYP1A2CYP2D6

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