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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5607325

CC(C)C1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Ti+2]C1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.[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 4)

geneUniProtsupporting neighboursconfidence
▸ PTAFR known ✓ P25105 1/20 0.30
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ KIF11 P52732 2/20 0.31

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 SCHEMBL27495446 0.85 CHRNB2 (0.31) —
Hydrochloric Acid SCHEMBL28755544 0.83 BRD4 (0.32) BRD4CREBBPKIF11
Hydrochloric Acid SCHEMBL5144001 0.83 BRD4 (0.32) BRD4CREBBPKIF11
Hydrochloric Acid SCHEMBL5607408 0.83 KIF11 (0.33) BRD4CREBBPKIF11PTAFR
SCHEMBL1801597 0.83 BRD4 (0.33) BRD4CREBBPKIF11
Hydrochloric Acid SCHEMBL2522711 0.82 BRD4 (0.32) BRD4CREBBPKIF11
Hydrochloric Acid SCHEMBL28681493 0.82 BRD4 (0.32) BRD4CREBBPKIF11
SCHEMBL28755381 0.82 BRD4 (0.33) BRD4CREBBP
SCHEMBL4469130 0.82 BRD4 (0.33) BRD4CREBBPPTAFR
SCHEMBL7036041 0.82 BRD4 (0.33) BRD4CREBBP

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
EP-1771484-A1 METHOD FOR PRODUCING ULTRAHIGH MOLECULAR WEIGHT POLYMERS WHILE USING UNBRIDGED METALLOCENE CATALYSTS Ticona GmbH (DE) 2007-04-11 — — EP disclosed
WO-2006008127-A1 METHOD FOR PRODUCING ULTRAHIGH MOLECULAR WEIGHT POLYMERS WHILE USING UNBRIDGED METALLOCENE CATALYSTS TICONA GMBH (DE) 2006-01-26 — — WO disclosed