Hydrochloric Acid

SCHEMBL7940040

CC[Si]1(CC)C2=C(C)C([Zr+2]C3C(C)=C1c1c(-c4ccccc4)cccc13)c1cccc(-c3ccccc3)c12.[Cl-].[Cl-]

nearest known ligand 0.32

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
▸	PDCD1	Q15116	1/20	0.32

▸	CD274	Q9NZQ7	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.

Compound	similarity	top predicted	shared targets
Hydrochloric Acid SCHEMBL7942503	0.88	BCHE (0.31)	—
Hydrochloric Acid SCHEMBL1069567	0.87	—	—
Hydrochloric Acid SCHEMBL6464432	0.85	PDCD1 (0.31)	PDCD1CD274
Hydrochloric Acid SCHEMBL481289	0.85	PDCD1 (0.31)	PDCD1CD274
Hydrochloric Acid SCHEMBL6439096	0.85	PDCD1 (0.31)	PDCD1CD274
Hydrochloric Acid SCHEMBL7645544	0.83	BCHE (0.30)	—
Hydrochloric Acid SCHEMBL7942529	0.83	—	—
Bromide SCHEMBL4312280	0.82	—	—
Hydrochloric Acid SCHEMBL7944991	0.82	—	—
Hydrochloric Acid SCHEMBL4061874	0.82	—	—

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0751156-B1	Ethylene copolymer rubber, vulcanizable rubber composition containing the copolymer rubber, and process for preparing the copolymer rubber	MITSUI CHEMICALS INC (JP)	2001-09-05	—	—	EP	disclosed