Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| Water SCHEMBL1116006 | 0.97 | — | — | |
| SCHEMBL7941121 | 0.96 | — | — | |
| SCHEMBL26757190 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL11476043 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL25522980 | 0.93 | ALDH1A1 (0.30) | — | |
| Bromide SCHEMBL8507106 | 0.93 | — | — | |
| Iodide SCHEMBL8135429 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL7554099 | 0.93 | — | — | |
| SCHEMBL670819 | 0.93 | ALDH1A1 (0.30) | — | |
| Methyl Alcohol SCHEMBL28384970 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111036296-B | Supported condensation catalyst, preparation method thereof and application of supported condensation catalyst in synthesis of 1, 3-butanediol | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | claimed |
| CN-111036296-A | Supported condensation catalyst, preparation method thereof and application of supported condensation catalyst in synthesis of 1, 3-butanediol | 万华化学集团股份有限公司 | 2020-04-21 | — | — | CN | claimed |
| US-12606916-B2 | Method for reducing or preventing corrosion or fouling caused by acidic compounds | KURITA WATER INDUSTRIES LTD. (JP) | 2026-04-21 | — | — | US | disclosed |
| EP-4097274-A1 | METHOD FOR REDUCING OR PREVENTING CORROSION OR FOULING CAUSED BY ACIDIC COMPOUNDS | Kurita Water Industries Ltd. (JP) | 2022-12-07 | — | — | EP | disclosed |
| US-20220364242-A1 | Method for Reducing or Preventing Corrosion or Fouling Caused by Acidic Compounds | KURITA WATER INDUSTRIES LTD. (JP) | 2022-11-17 | — | — | US | disclosed |
| CN-115103930-A | Method for reducing or preventing corrosion or fouling by acidic compounds | 栗田工业株式会社 | 2022-09-23 | — | — | CN | disclosed |
| CN-111036296-B | Supported condensation catalyst, preparation method thereof and application of supported condensation catalyst in synthesis of 1, 3-butanediol | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| WO-2021152773-A1 | Method for Reducing or Preventing Corrosion or Fouling Caused by Acidic Compounds | KURITA WATER INDUSTRIES LTD. (JP) | 2021-08-05 | — | — | WO | disclosed |
| CN-111036296-A | Supported condensation catalyst, preparation method thereof and application of supported condensation catalyst in synthesis of 1, 3-butanediol | 万华化学集团股份有限公司 | 2020-04-21 | — | — | CN | disclosed |
| EP-2155804-B1 | A METHOD FOR MAKING PHENYLALKYLSILOXANES | DOW SILICONES CORP (US) | 2018-08-01 | — | — | EP | disclosed |
| CN-101679636-B | Process for preparing phenylalkylsiloxanes | DOW CORNING | 2012-11-14 | — | — | CN | disclosed |
| CN-101679636-A | Process for preparing phenylalkylsiloxanes | DOW CORNING | 2010-03-24 | — | — | CN | disclosed |
| EP-2155804-A1 | A METHOD FOR MAKING PHENYLALKYLSILOXANES | Dow Corning Corporation (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008152042-A1 | A METHOD FOR MAKING PHENYLALKYLSILOXANES | DOW CORNING CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |