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 SCHEMBL6537106 | 0.87 | — | — | |
| SCHEMBL462701 | 0.82 | — | — | |
| SCHEMBL29357530 | 0.82 | — | — | |
| SCHEMBL30882005 | 0.82 | — | — | |
| Water SCHEMBL23023598 | 0.67 | — | — | |
| Water SCHEMBL10886625 | 0.67 | — | — | |
| Water SCHEMBL2872374 | 0.67 | — | — | |
| SCHEMBL6069308 | 0.67 | — | — | |
| Water SCHEMBL1449717 | 0.67 | — | — | |
| Water SCHEMBL2980748 | 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 13 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 |
| 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-1220551-C | Method for producing a multiphase multimetal oxide material | BASF AG (DE) | 2005-09-28 | — | — | CN | disclosed |
| US-6921836-B1 | Multimetal oxide materials | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-26 | — | — | 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 |
| CN-1515353-A | Method for preparing metal oxidizing acid salt and said salt | �����ɷ� | 2004-07-28 | — | — | CN | disclosed |
| CN-1462211-A | Method for producing multiple-phase multi-metal oxide materials | BASF AG (DE) | 2003-12-17 | — | — | CN | disclosed |
| US-20030181761-A1 | Method for producing multiple-phase multi-metal oxide materials | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | US | disclosed |
| CN-1112969-C | Multi-metal oxide compounds | BASF AG (DE) | 2003-07-02 | — | — | CN | disclosed |
| CN-1112968-C | Multi-metal oxide composite with two-phase structure | BASF AG (DE) | 2003-07-02 | — | — | CN | disclosed |
| CN-1295499-A | Multi-metal oxide compounds | BASF AG (DE) | 2001-05-16 | — | — | CN | disclosed |
| CN-1295498-A | Multi-metal oxide composite with two-phase structure | BASF AG (DE) | 2001-05-16 | — | — | CN | disclosed |