Hydrochloric Acid

SCHEMBL6910372

CN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1S[Zr+2]Sc1c(N(C)C)cc(C(C)(C)C)cc1C(C)(C)C.[Cl-].[Cl-]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL6909650	0.83	SMN1; SMN2 (0.37)	—
Hydrochloric Acid SCHEMBL6905332	0.75	CA2 (0.35)	—
Hydrochloric Acid SCHEMBL6902395	0.70	—	—
SCHEMBL3178010	0.67	GABRA1 (0.40)	—
SCHEMBL25798864	0.65	GABRA1 (0.39)	—
SCHEMBL14640959	0.65	GABRA1 (0.39)	—
SCHEMBL24848636	0.65	CYP1A2 (0.41)	—
SCHEMBL13166889	0.65	CYP1A2 (0.41)	—
Hydrochloric Acid SCHEMBL6902402	0.63	—	—
SCHEMBL6902398	0.62	—	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6730626-B2	TRANSITION METAL DERIVATIVE CAN REACT TO FORM AN IONIC COMPLEX WITH THE ALUMINOXANE	IDEMITSU PETROCHEMICAL CO., LTD. (JP)	2004-05-04	—	—	US	disclosed
EP-1323723-A1	TRANSITION METAL COMPOUNDS, POLYMERIZATION CATALYSTS FOR OLEFINS, OLEFIN POLYMERS AND PROCESS FOR THEIR PRODUCTION	IDEMITSU PETROCHEMICAL CO., LTD. (JP)	2003-07-02	—	—	EP	disclosed
US-20020193536-A1	Transition metal compound, polymerization catalysts for olefins, olefin polymers and process for their production	IDEMITSU KOSAN CO. LTD. (JP)	2002-12-19	—	—	US	disclosed