Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3205100

CN(C)CC1=C(c2ccccc2[Ti+2]OCc2ccccc2)CC=C1.[Cl-].[Cl-]

nearest known ligand 0.33

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
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTR7 P34969 1/20 0.32

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 SCHEMBL3687592 0.89 ALDH1A1 (0.32) ALDH1A1TSHRHTR7
Hydrochloric Acid SCHEMBL3207930 0.82 TSHR (0.33) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3194019 0.81 KDM4E (0.31)
Hydrochloric Acid SCHEMBL3214579 0.79 CYP2D6 (0.32) TSHR
Hydrochloric Acid SCHEMBL3192699 0.77
Hydrochloric Acid SCHEMBL3210117 0.73 CYP1A2 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL3205221 0.72
Hydrochloric Acid SCHEMBL3200218 0.71 TSHR (0.31) TSHR
Hydrochloric Acid SCHEMBL3210126 0.69 SLC6A2 (0.31)
Hydrochloric Acid SCHEMBL3209790 0.69 HTT (0.31) ALDH1A1

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-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed