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.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7033908 | 0.90 | — | — | |
| Lithium Ion SCHEMBL15563032 | 0.86 | — | — | |
| Ethane SCHEMBL6555421 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL125694 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6438501 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL726789 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL1206366 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6437991 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6438506 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL1361615 | 0.60 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458363-B1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | SQUIBB & SONS INC (US) | 1996-02-07 | — | — | EP | claimed |
| EP-0458643-B1 | Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside | SQUIBB & SONS INC (US) | 1995-11-29 | — | — | EP | claimed |
| US-5233076-A | Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside | E. R. SQUIBB & SONS, INC. (US) | 1993-08-03 | — | — | US | claimed |
| WO-1991018969-A1 | FLUORINATED BIS(HYDROXYMETHYL)CYCLOBUTYL PURINES AND PYRIMIDINES | E.R. SQUIBB & SONS, INC. (US) | 1991-12-12 | — | — | WO | claimed |
| EP-0458363-A1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1991-11-27 | — | — | EP | claimed |
| EP-0458643-A2 | Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside | E.R. SQUIBB & SONS, INC. (US) | 1991-11-27 | — | — | EP | claimed |
| US-9315601-B2 | Solid catalyst component for olefin polymerization, and catalyst | TOHO TITANIUM CO., LTD. (JP) | 2016-04-19 | — | — | US | disclosed |
| US-20140135205-A1 | SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, AND CATALYST | TOHO TITANIUM CO., LTD. (JP) | 2014-05-15 | — | — | US | disclosed |
| US-8563675-B2 | Curable compositions composed of silanes with two hydrolyzable groups | HENKEL AG & CO. KGAA (DE) | 2013-10-22 | — | — | US | disclosed |
| US-8450411-B2 | Curable composition having a silane-modified reactive thinner | HENKEL AG & CO. KGAA (DE) | 2013-05-28 | — | — | US | disclosed |
| US-20120108730-A1 | CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER | HENKEL AG & CO. KGAA (DE) | 2012-05-03 | — | — | US | disclosed |
| US-8067508-B2 | Compositions consisting of partially silyl-terminated polymers | HENKEL AG & CO. KGAA (DE) | 2011-11-29 | — | — | US | disclosed |
| US-20100204387-A1 | CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS | HENKEL AG & CO. KGAA (DE) | 2010-08-12 | — | — | US | disclosed |
| EP-0458643-B1 | Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside | SQUIBB & SONS INC (US) | 1995-11-29 | — | — | EP | disclosed |
| US-5344962-A | Intermediates in the synthesis of an optically active cyclobutane nucleoside | E. R. SQUIBB & SONS, INC. (US) | 1994-09-06 | — | — | US | disclosed |
| US-5233076-A | Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside | E. R. SQUIBB & SONS, INC. (US) | 1993-08-03 | — | — | US | disclosed |
| EP-0458363-A1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1991-11-27 | — | — | EP | disclosed |
| EP-0458643-A2 | Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside | E.R. SQUIBB & SONS, INC. (US) | 1991-11-27 | — | — | EP | disclosed |
| US-4115415-A | FROM ALKYLENE OXIDES | NISSO PETROCHEMICAL INDUSTRIES CO., LTD. (JP) | 1978-09-19 | — | — | US | disclosed |
| US-4022808-A | ZINC-ALUMINUM-TITANIUM-TIN-IRON OR GROUP 5A AS CATALYSTS | NIPPON SODA COMPANY LIMITED (JA) | 1977-05-10 | — | — | US | disclosed |