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 SCHEMBL7430 | 0.82 | — | — | |
| Water SCHEMBL28097199 | 0.82 | — | — | |
| Water SCHEMBL612955 | 0.67 | — | — | |
| Water SCHEMBL5138674 | 0.67 | — | — | |
| Water SCHEMBL7867880 | 0.67 | — | — | |
| Water SCHEMBL25436825 | 0.67 | — | — | |
| Water SCHEMBL10488427 | 0.67 | — | — | |
| Water SCHEMBL5576086 | 0.67 | — | — | |
| Water SCHEMBL11069842 | 0.67 | — | — | |
| Water SCHEMBL5531717 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963550-B1 | METHOD OF REDUCING POROSITY | PRAXAIR TECHNOLOGY INC (US) | 2018-10-31 | — | — | EP | disclosed |
| EP-2032523-B1 | PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES / ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION | AKZO NOBEL NV (NL) | 2012-06-20 | — | — | EP | disclosed |
| US-8049039-B2 | Process for preparation of alkoxylated alkylamines/alkyl ether amines with peaked distribution | AKZO NOBEL N.V. (NL) | 2011-11-01 | — | — | US | disclosed |
| US-20090209788-A1 | PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES/ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION | AKZO NOBEL N.V. (NL) | 2009-08-20 | — | — | US | disclosed |
| CN-101479232-A | Process for preparation of alkoxylated alkylamines / alkyl ether amines with peaked distribution | AKZO NOBEL NV (NL) | 2009-07-08 | — | — | CN | disclosed |
| EP-2032523-A1 | PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES / ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION | Akzo Nobel N.V. (NL) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007147866-A1 | PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES / ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION | AKZO NOBEL N.V. (NL) | 2007-12-27 | — | — | WO | disclosed |