Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6306103

COc1cc(C(C)(C)C)c(O[Ti+2]C2=CC=CC2)c(C(C)(C)C)c1.[Cl-].[Cl-]

nearest known ligand 0.40

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
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TNFRSF1A P19438 1/20 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
Fluoride Ion SCHEMBL6311818 0.97 CA1 (0.40) CA1CA2TNFRSF1A
Iodide SCHEMBL6307731 0.97 CA1 (0.40) CA1CA2TNFRSF1A
Bromide SCHEMBL6311960 0.97 CA1 (0.40) CA1CA2TNFRSF1A
Hydrochloric Acid SCHEMBL6306871 0.85
Hydrochloric Acid SCHEMBL3154711 0.85 ALDH1A1 (0.34) CA2
Iodide SCHEMBL3156624 0.82 ALDH1A1 (0.34) CA2
Bromide SCHEMBL3147465 0.82 ALDH1A1 (0.34) CA2
Fluoride Ion SCHEMBL6311932 0.82
Iodide SCHEMBL6304877 0.82
Bromide SCHEMBL6304580 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951906-B1 Process for hydrogenating a conjugated diene polymer KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2005-10-04 US claimed
EP-1124863-B1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEM CO LTD (KR) 2004-07-21 EP claimed
EP-1124863-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER Korea Kumho Petrochemical Co. Ltd. (KR) 2001-08-22 EP claimed
WO-2000008069-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2000-02-17 WO claimed
US-6951906-B1 Process for hydrogenating a conjugated diene polymer KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2005-10-04 US disclosed
EP-1124863-B1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEM CO LTD (KR) 2004-07-21 EP disclosed
EP-1124863-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER Korea Kumho Petrochemical Co. Ltd. (KR) 2001-08-22 EP disclosed
WO-2000008069-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2000-02-17 WO disclosed