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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1638589 | 1.00 | — | — | |
| Water SCHEMBL28571077 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL1285698 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL160460 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28367342 | 0.82 | CA2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31668382 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL693872 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7176200 | 0.82 | CA2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL22686 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL9453842 | 0.82 | CA2 (0.33) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080069896-A1 | Antitumor Composition | KABUSHIKI KAISHA SANGI (JP) | 2008-03-20 | — | — | US | claimed |
| EP-1803459-A1 | ANTITUMOR COMPOSITION | KABUSHIKI KAISHA SANGI (JP) | 2007-07-04 | — | — | EP | claimed |
| US-10227318-B2 | Method for producing gamma-valerolactone | UBE INDUSTRIES, LTD. (JP) | 2019-03-12 | — | — | US | disclosed |
| US-20180297972-A1 | METHOD FOR PRODUCING gamma-VALEROLACTONE | UBE INDUSTRIES, LTD (JP) | 2018-10-18 | — | — | US | disclosed |
| EP-3381911-A1 | METHOD FOR PRODUCING -VALEROLACTONE | UBE Industries, Ltd. (JP) | 2018-10-03 | — | — | EP | disclosed |
| US-9334211-B2 | Hydrocracking catalyst, method for producing same, and method for producing hydroxy compound using said catalyst | UBE INDUSTRIES, LTD. (JP) | 2016-05-10 | — | — | US | disclosed |
| US-20140288335-A1 | HYDROCRACKING CATALYST, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING HYDROXY COMPOUND USING SAID CATALYST | UBE INDUSTRIES, LTD. (JP) | 2014-09-25 | — | — | US | disclosed |
| EP-1803459-A4 | ANTITUMOR COMPOSITION | SANGI KK (JP) | 2008-09-10 | — | — | EP | disclosed |
| US-20080069896-A1 | Antitumor Composition | KABUSHIKI KAISHA SANGI (JP) | 2008-03-20 | — | — | US | disclosed |
| US-20080069896-A1 | Antitumor Composition | KABUSHIKI KAISHA SANGI (JP) | 2008-03-20 | — | — | US | disclosed |
| CN-101027067-A | Antitumor composition | SANGI KK (JP) | 2007-08-29 | — | — | CN | disclosed |
| EP-1803459-A1 | ANTITUMOR COMPOSITION | KABUSHIKI KAISHA SANGI (JP) | 2007-07-04 | — | — | EP | disclosed |
| EP-1803459-A1 | ANTITUMOR COMPOSITION | KABUSHIKI KAISHA SANGI (JP) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006035717-A1 | ANTITUMOR COMPOSITION | KABUSHIKI KAISHA SANGI (JP) | 2006-04-06 | — | — | WO | disclosed |