Hydrochloric Acid

SCHEMBL7940037

Cc1cc(C)c(-c2ccc3c(c2)Cc2c-3ccc(-c3c(C)cc(C)cc3C)c2C(C)(C)C2=CC=CC2)c(C)c1.[Cl-].[Cl-].[Zr+2]

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
SCHEMBL7940041	0.97	—	—
Hydrochloric Acid SCHEMBL9231644	0.80	MEN1 (0.33)	—
Hydrochloric Acid SCHEMBL7939587	0.79	TDP2 (0.35)	—
SCHEMBL7930868	0.76	TDP2 (0.36)	—
Hydrochloric Acid SCHEMBL9231718	0.74	HSP90AA1 (0.36)	—
Hydrochloric Acid SCHEMBL9226439	0.73	METAP1 (0.31)	—
Hydrochloric Acid SCHEMBL6557767	0.72	—	—
Hydrochloric Acid SCHEMBL9067766	0.72	PGR (0.35)	—
Hydrochloric Acid SCHEMBL17818102	0.71	MEN1 (0.31)	—
Hydrochloric Acid SCHEMBL9232044	0.71	—	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0666267-B1	Organometallic fluorenyl compounds, preparation, and use	PHILLIPS PETROLEUM CO (US)	2001-04-18	—	—	EP	claimed
EP-0666267-A2	Organometallic fluorenyl compounds, preparation, and use	PHILLIPS PETROLEUM COMPANY (US)	1995-08-09	—	—	EP	claimed