Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2864014

CC1=C([Zr+2](=C(c2ccc(C)cc2)c2ccc(C)cc2)C2c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)CC=C1.[Cl-].[Cl-]

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 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
Hydrochloric Acid SCHEMBL2871579 0.91 NPC1 (0.31) NPC1MAPTRAB9ACA12CA1
Hydrochloric Acid SCHEMBL2862196 0.86
Hydrochloric Acid SCHEMBL2856564 0.84
Hydrochloric Acid SCHEMBL450509 0.83 ALDH1A1 (0.32) NPC1RAB9A
Hydrochloric Acid SCHEMBL2862334 0.82 NPC1 (0.30) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL5083491 0.81 NPC1 (0.32) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL2860070 0.80
Hydrochloric Acid SCHEMBL5081233 0.78 KCNK9 (0.31)
Hydrochloric Acid SCHEMBL401301 0.77 POLB (0.31)
Hydrochloric Acid SCHEMBL8514188 0.76 NPC1 (0.31) NPC1MAPTRAB9A

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
EP-1661921-B1 Synthetic lubricating oil and lubricating oil composition thereof MITSUI CHEMICALS INC (JP) 2019-07-17 EP disclosed
US-7795194-B2 Synthetic lubricating oil and lubricating oil composition MITSUI CHEMICALS, INC. (JP) 2010-09-14 US disclosed
US-20060116303-A1 decene-ethylene copolymer, zirconium, titanium or hafnium fluorene-containing complexes, organometallics; improved high thermal oxidation stability, viscosity index, low-temperature viscosity properties and shear stability MITSUI CHEMICALS, INC. (JP) 2006-06-01 US disclosed
EP-1661921-A1 Synthetic lubricating oil and lubricating oil composition thereof Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed