SCHEMBL7872896

SCHEMBL7872896

CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.55
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
SNCA P37840 2/20 0.38
TP53 P04637 1/20 0.38
AOC3 Q16853 1/20 0.35
ESR1 P03372 1/20 0.35
TRPA1 O75762 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MIF P14174 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
HKDC1 Q2TB90 1/20 0.32

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
SCHEMBL29563765 0.95 HIF1A (0.60) HIF1ATSHRALDH1A1CYP1A2CYP2D6
SCHEMBL7877156 0.92 HIF1A (0.52) HIF1ATSHRALDH1A1CYP1A2CYP2D6
Iodide SCHEMBL41863 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6
Iodide SCHEMBL10592900 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6
Fluoride Ion SCHEMBL584733 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6
Water SCHEMBL3419223 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6
SCHEMBL9513348 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6
Bromide SCHEMBL42887 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6
SCHEMBL9513351 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6
Iodide SCHEMBL30173683 0.92 HIF1A (0.57) HIF1ATSHRALDH1A1CYP1A2CYP2D6

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
US-6316575-B1 MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 2001-11-13 US claimed
EP-0056145-B1 PROCESS FOR THE PRODUCTION OF INORGANIC-ORGANIC FOAMS Mobay Chemical Corporation (US) 1985-06-12 EP disclosed
US-4355118-A POLYISOCYANATE, ALKALIMETAL SILICATE, ONIUM COMPOUND MOBAY CHEMICAL CORPORATION (US) 1982-10-19 US disclosed
EP-0056145-A1 Process for the production of inorganic-organic foams Mobay Chemical Corporation (US) 1982-07-21 EP disclosed