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 SCHEMBL63092 | 1.00 | — | — | |
| Water SCHEMBL9849563 | 1.00 | — | — | |
| Water SCHEMBL31072894 | 0.87 | — | — | |
| Water SCHEMBL19326858 | 0.87 | — | — | |
| Water SCHEMBL87676 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL1325725 | 0.87 | — | — | |
| SCHEMBL10833365 | 0.82 | — | — | |
| SCHEMBL702028 | 0.82 | — | — | |
| SCHEMBL5241197 | 0.82 | — | — | |
| SCHEMBL6688187 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4773931-A | Spindle ferromagnetic alloy particles | TODA KOGYO CORP. (JP) | 1988-09-27 | — | — | US | claimed |
| EP-1932807-A1 | Inorganic compounds | Novartis AG (CH) | 2008-06-18 | — | — | EP | disclosed |
| EP-1050333-B1 | Iron compound catalyst for inhibiting generation of dioxin and incineration process of municipal solid waste using the same | TODA KOGYO CORP (JP) | 2006-07-05 | — | — | EP | disclosed |
| US-6800587-B2 | AIR POLLUTION CONTROL | TODA KOGYO CORPORATION (JP) | 2004-10-05 | — | — | US | disclosed |
| US-6663840-B2 | Iron oxide particles or iron oxide hydroxide particles; an acid gas neutralizing agent and optionally an activated carbon. | TODA KOGYO CORPORATION (JP) | 2003-12-16 | — | — | US | disclosed |
| US-20030091764-A1 | Plastic film, and shopping bag and garbage bag produced from the same | TODA KOGYO CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |
| US-20020198102-A1 | Process for treating dioxin-containing exhaust gas and composite catalyst composition for inhibiting generation of dioxin | TODA KOGYO CORPORATION | 2002-12-26 | — | — | US | disclosed |
| US-6436868-B1 | IRON OXIDE OR IRON OXIDE HYDROXIDE PARTICLES, ACID GAS NEUTRALIZING AGENT; WASTE EXHAUST GASES | TODA KOGYO CORPORATION (JP) | 2002-08-20 | — | — | US | disclosed |
| US-20010031235-A1 | Iron compound catalyst for inhibiting generation of dioxin and incineration process of municipal solid waste using the same | TODA KOGYO CORPORATION | 2001-10-18 | — | — | US | disclosed |
| US-6276287-B1 | COMPRISING IRON OXIDE AND/OR IRON OXIDE HYDROXIDE PARTICLES CONVERTING FIFTEEN PERCENT OR MORE CARBON MONOXIDE INTO CARBON DIOXIDE; COMPLETE COMBUSTION AND DIOXIN PRECURSOR DECOMPOSITION UPON LOW-TEMPERATURE COMBUSTION | TODA KOGYO CORPORATION (JP) | 2001-08-21 | — | — | US | disclosed |
| EP-1066873-A1 | Process and composition for treating dioxin-containing exhaust gas | Toda Kogyo Corporation (JP) | 2001-01-10 | — | — | EP | disclosed |
| EP-1050333-A1 | Iron compound catalyst for inhibiting generation of dioxin and incineration process of municipal solid waste using the same | TODA KOGYO CORP. (JP) | 2000-11-08 | — | — | EP | disclosed |
| EP-0148634-B1 | FERROMAGNETIC ALLOY PARTICLES FOR MAGNETIC RECORDING MEDIA AND PROCESS FOR THEIR MANUFACTURE | TODA KOGYO CORP. (JP) | 1989-05-24 | — | — | EP | disclosed |
| US-4773931-A | Spindle ferromagnetic alloy particles | TODA KOGYO CORP. (JP) | 1988-09-27 | — | — | US | disclosed |
| EP-0148634-A2 | Ferromagnetic alloy particles for magnetic recording media and process for their manufacture | TODA KOGYO CORP. (JP) | 1985-07-17 | — | — | EP | disclosed |