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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5513889

CC1=Cc2c(-c3ccccc3)ccc(C)c2C1[Zr+2](C)(C)(=[SiH2])C1C(C)=Cc2c(-c3ccccc3)ccc(C)c21.[Cl-].[Cl-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 3)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.32
▸ CYP2A6 P11509 1/20 0.30
▸ CYP2B6 P20813 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5507009 0.78 PDCD1 (0.32) —
Hydrochloric Acid SCHEMBL27670353 0.77 ESR2 (0.36) ESR2CYP2A6CYP2B6
SCHEMBL27757694 0.74 ESR2 (0.36) ESR2CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL5507050 0.74 — —
Hydrochloric Acid SCHEMBL5513584 0.73 METAP2 (0.32) —
SCHEMBL28024200 0.73 ESR2 (0.35) ESR2CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL28034530 0.72 ESR2 (0.34) ESR2CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL5513893 0.71 ESR2 (0.32) ESR2CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL4796462 0.71 ESR2 (0.32) ESR2CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1034641 0.71 ESR2 (0.32) ESR2CYP2A6CYP2B6

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 — — US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 — — US disclosed