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 SCHEMBL19026 | 1.00 | — | — | |
| Potassium Ion SCHEMBL9929519 | 0.82 | — | — | |
| Water SCHEMBL20819967 | 0.82 | — | — | |
| Water SCHEMBL10760395 | 0.82 | — | — | |
| Water SCHEMBL2975274 | 0.82 | — | — | |
| Water SCHEMBL8055807 | 0.82 | — | — | |
| Lithium Ion SCHEMBL1565410 | 0.82 | — | — | |
| Water SCHEMBL21724127 | 0.82 | — | — | |
| Water SCHEMBL72822 | 0.82 | — | — | |
| Water SCHEMBL3391486 | 0.82 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12391710-B2 | Method for the industrial preparation of the disodium salt of ((2S)-3-([1,1′-biphenyl]-4-yl-2-((hydroxy((1R)-1-(((1-(isobutyryloxy)ethoxy)carbonyl)amino)ethyl)phosphoryl) methyl)propanoyl)-l-alanine | KOS THERAPEUTICS, INC. (US) | 2025-08-19 | — | — | US | disclosed |
| EP-4073080-B1 | PROCESS FOR INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL)METHYL)PROPANOYL)-L-ALANINE | KOS THERAPEUTICS INC (US) | 2023-10-11 | — | — | EP | disclosed |
| US-20230041504-A1 | METHOD FOR THE INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL) METHYL)PROPANOYL)-L-ALANINE | KOS THERAPEUTICS, INC. | 2023-02-09 | — | — | US | disclosed |
| EP-4073080-A1 | PROCESS FOR INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL)METHYL)PROPANOYL)-L-ALANINE | Pharmaleads (FR) | 2022-10-19 | — | — | EP | disclosed |
| CN-114787171-A | Industrial process for the preparation of the disodium salt of ((2S) -3- ([1, 1' -biphenyl ] -4-yl) -2- ((hydroxy ((1R) -1- (((1- (isobutyroyloxy) ethoxy) carbonyl) amino) ethyl) phosphoryl) methyl) propionyl) -L-alanine | 领先药物公司 | 2022-07-22 | — | — | CN | disclosed |
| WO-2021116617-A1 | PROCESS FOR INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL)METHYL)PROPANOYL)-L-ALANINE | PHARMALEADS (FR) | 2021-06-17 | — | — | WO | disclosed |
| CN-1036722-C | Preparation process of polyoxyalkylene polyols | MITSUI TOATSU CHEMICALS (JP) | 1997-12-17 | — | — | CN | disclosed |
| CN-1105039-A | Preparation process of polyoxyalkylene polyols | MITSUI TOATSU CHEMICALS (JP) | 1995-07-12 | — | — | CN | disclosed |