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 SCHEMBL62334 | 0.89 | — | — | |
| Water SCHEMBL28293221 | 0.80 | — | — | |
| Water SCHEMBL27563899 | 0.80 | — | — | |
| Water SCHEMBL61237 | 0.80 | — | — | |
| Silver SCHEMBL61471 | 0.80 | — | — | |
| Water SCHEMBL23209656 | 0.80 | — | — | |
| Water SCHEMBL11525340 | 0.80 | — | — | |
| Potassium Ion SCHEMBL27790300 | 0.80 | — | — | |
| Water SCHEMBL21357004 | 0.80 | — | — | |
| SCHEMBL15338 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7667073-B2 | Preparation of catalytically active multielement oxide materials which contain at least one of the elements Nb and W and the elements Mo, V and Cu | BASF AKTIENGESELLSCHAFT (DE) | 2010-02-23 | — | — | US | disclosed |
| US-20090234159-A1 | PREPARATION OF CATALYTICALLY ACTIVE MULTIELEMENT OXIDE MATERIALS WHICH CONTAIN AT LEAST ONE OF THE ELEMENTS NB AND W AND THE ELEMENTS MO, V AND CU | BASF AKTIENGESELLSCHAFT (DE) | 2009-09-17 | — | — | US | disclosed |
| CN-100528361-C | Method for the production of catalytically active multielement oxide materials containing at least one of the elements nb and w as well as elements Mo, V, and Cu by means of a thermal treatment | BASF AG (DE) | 2009-08-19 | — | — | CN | disclosed |
| US-7524792-B2 | Preparation of catalytically active multielement oxide materials which contain at least one of the elements Nb and W and the elements Mo, V and Cu | BASF AKTIENGESELLSCHAFT (DE) | 2009-04-28 | — | — | US | disclosed |
| CN-1802215-A | Preparation of catalytically active multielement oxide material comprising at least one of niobium and tungsten and manganese, vanadium and copper elements | BASF AG (DE) | 2006-07-12 | — | — | CN | disclosed |
| US-6921836-B1 | Multimetal oxide materials | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-26 | — | — | US | disclosed |
| US-20040249183-A1 | Preparation of catalytically active multielement oxide materials which contain at least one of the elements Nb and W and the elements Mo, V and Cu | BASF AKTIENGESELLSCHAFT (DE) | 2004-12-09 | — | — | US | disclosed |
| US-6794539-B2 | FOR PREPARING ACRYLIC ACID USING CATALYSTS COMPRISING THESE MULTIMETAL OXIDE COMPOSITIONS AS ACTIVE COMPOSITION | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| US-6737545-B1 | CATALYTIC OXIDATIVE PREPARATION OF ACRYLIC ACID | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-18 | — | — | US | disclosed |
| US-20030181761-A1 | Method for producing multiple-phase multi-metal oxide materials | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | US | disclosed |