Hydrochloric Acid

SCHEMBL7936772

C1CC[SiH2]C1.CC1=C([Hf+2]C2=C(C)C(c3ccc(F)cc3)=CC2)CC=C1c1ccc(F)cc1.[Cl-].[Cl-]

nearest known ligand 0.33

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
▸	CYP3A4	P08684	1/20	0.33

▸	CYP17A1	P05093	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 SCHEMBL7926693	0.94	CYP3A4 (0.34)	CYP3A4CYP17A1
Hydrochloric Acid SCHEMBL7939054	0.80	CYP3A4 (0.33)	CYP3A4
Hydrochloric Acid SCHEMBL27546059	0.71	NISCH (0.36)	—
Hydrochloric Acid SCHEMBL7938716	0.70	PTPN1 (0.32)	—
Hydrochloric Acid SCHEMBL7936115	0.63	CYP3A4 (0.35)	CYP3A4
Hydrochloric Acid SCHEMBL7938864	0.63	CYP3A4 (0.35)	CYP3A4
Hydrochloric Acid SCHEMBL4327929	0.62	—	—
Hydrochloric Acid SCHEMBL4979117	0.60	—	—
SCHEMBL13821776	0.60	CYP3A4 (0.41)	CYP3A4
Hydrochloric Acid SCHEMBL7936959	0.59	CYP3A4 (0.35)	CYP3A4CYP17A1

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
US-6184402-B1	RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES	CHISSO CORPORATION (JP)	2001-02-06	—	—	US	disclosed