Known targets — ChEMBL curated mechanism
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 SCHEMBL28318104 | 1.00 | TSHR (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL28027876 | 0.96 | — | — | |
| SCHEMBL27346657 | 0.96 | TSHR (0.50) | — | |
| SCHEMBL27308161 | 0.96 | TSHR (0.50) | — | |
| SCHEMBL27259142 | 0.96 | TSHR (0.50) | — | |
| SCHEMBL5991 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL27704490 | 0.93 | CA2 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL60731 | 0.92 | — | — | |
| SCHEMBL16680972 | 0.92 | — | — | |
| Bromide SCHEMBL2124260 | 0.92 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115942870-A | Composition with virucidal and/or antiviral activity | 西姆莱斯股份公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115305215-A | Novel bacterial starter of the genus lactobacillus | 西姆莱斯股份公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-114727914-A | Product for the indirect transfer of a cosmetic active to the skin | 西姆莱斯股份公司 | 2022-07-08 | — | — | CN | disclosed |
| EP-1644012-B1 | QUATERNARY CHELIDONINE AND ALKALOID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS | NOWICKY WASSILI (AT) | 2010-06-02 | — | — | EP | disclosed |
| CN-101331149-A | A process for the preparation of high purity phytosterols from deodourizer distillate from vegetable oils | COUNCIL SCIENT IND RES (IN) | 2008-12-24 | — | — | CN | disclosed |
| CN-101171327-A | Polymers for laundry applications | UNILEVER PLC UNILEVER NV (NL) | 2008-04-30 | — | — | CN | disclosed |
| US-6274538-B1 | COMPRESSED TABLET CONTAINS EXPLOSIVE RELEASE COMPONENT OF TRAPPED GAS; HIGH SPEED; DISHWASHERS | THE PROCTER & GAMBLE COMPANY | 2001-08-14 | — | — | US | disclosed |
| EP-0699233-B1 | BLEACHING WITH COMPOSITIONS COMPRISING PEROXYACID ACTIVATORS HAVING AMIDE MOIETIES | PROCTER & GAMBLE (US) | 1999-03-24 | — | — | EP | disclosed |
| US-5503938-A | Self-wetting binders for magnetic media | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-04-02 | — | — | US | disclosed |
| EP-0699233-A1 | BLEACHING COMPOSITIONS COMPRISING PEROXYACID ACTIVATORS HAVING AMIDE MOIETIES | THE PROCTER & GAMBLE COMPANY (US) | 1996-03-06 | — | — | EP | disclosed |
| US-5397815-A | Alcoholysis of polyvinyl acetate, different saponification numbers | CARLIN FRANCESCO (IT) | 1995-03-14 | — | — | US | disclosed |
| WO-1994028104-A1 | BLEACHING COMPOSITIONS COMPRISING PEROXYACID ACTIVATORS HAVING AMIDE MOIETIES | THE PROCTER & GAMBLE COMPANY (US) | 1994-12-08 | — | — | WO | disclosed |
| EP-0477193-B1 | PROCESS FOR THE PRODUCTION IN WATERY EMULSION OF BLENDS OF POLYVINYLIC ALCOHOLS AND RESPECTIVE PRODUCTS OBTAINED | CARLIN FRANCESCO (IT) | 1994-08-24 | — | — | EP | disclosed |
| EP-0477193-A1 | PROCESS FOR THE PRODUCTION IN WATERY EMULSION OF BLENDS OF POLYVINYLIC ALCOHOLS AND RESPECTIVE PRODUCTS OBTAINED. | CARLIN FRANCESCO (IT) | 1992-04-01 | — | — | EP | disclosed |
| WO-1990015827-A1 | PROCESS FOR THE PRODUCTION IN WATERY EMULSION OF BLENDS OF POLYVINYLIC ALCOHOLS AND RESPECTIVE PRODUCTS OBTAINED | CARLIN FRANCESCO (IT) | 1990-12-27 | — | — | WO | disclosed |