Hydrochloric Acid

SCHEMBL5006748

CC(C)=[Zr+2](C1=CC(C(C)(C)C)=CC1)C1c2cc3c(cc2-c2cc4c(cc21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C.[Cl-].[Cl-]

nearest known ligand 0.30

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

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 2)

	gene	UniProt	supporting neighbours	confidence
▸	RXRA	P19793	1/20	0.30

▸	RXRB	P28702	1/20	0.30

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.

Compound	similarity	top predicted	shared targets
Hydrochloric Acid SCHEMBL2871854	0.85	—	—
Hydrochloric Acid SCHEMBL2869676	0.84	—	—
Hydrochloric Acid SCHEMBL5011311	0.83	RARA (0.32)	RXRA
Hydrochloric Acid SCHEMBL2858842	0.83	—	—
Hydrochloric Acid SCHEMBL2870817	0.83	—	—
Hydrochloric Acid SCHEMBL5009230	0.82	—	—
Hydrochloric Acid SCHEMBL5006749	0.78	—	—
Hydrochloric Acid SCHEMBL673492	0.78	—	—
Hydrochloric Acid SCHEMBL673093	0.78	—	—
Hydrochloric Acid SCHEMBL2865156	0.74	—	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7449533-B2	Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin	MITSUI CHEMICALS, INC. (JP)	2008-11-11	—	—	US	disclosed
EP-1138687-B1	Metallocenes, their preparation, olefin polymerisation catalysts and a process for producing polyolefins	MITSUI CHEMICALS INC (JP)	2007-04-11	—	—	EP	disclosed
US-20050228155-A1	Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin	MITSUI CHEMICALS, INC. (JP)	2005-10-13	—	—	US	disclosed
EP-1138687-A1	METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN	Mitsui Chemicals, Inc. (JP)	2001-10-04	—	—	EP	disclosed