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 SCHEMBL10354528 | 1.00 | — | — | |
| Water SCHEMBL9242211 | 1.00 | — | — | |
| Water SCHEMBL24589 | 0.82 | — | — | |
| Water SCHEMBL8058162 | 0.67 | — | — | |
| Water SCHEMBL10354548 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3473379 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL3418085 | 0.67 | — | — | |
| Water SCHEMBL6251651 | 0.67 | — | — | |
| Water SCHEMBL11581100 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL2509982 | 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558367-B1 | REDUCTION OF GAS PHASE REDUCED NITROGEN SPECIES IN PARTIAL BURN FCC PROCESSES | GRACE W R & CO (US) | 2012-06-27 | — | — | EP | disclosed |
| EP-1558387-B1 | A METHOD OF PREPARING NOX REDUCTION COMPOSITIONS FOR USE IN FCC PROCESSES | GRACE W R & CO (US) | 2012-03-07 | — | — | EP | disclosed |
| US-7909986-B2 | Reduction of gas phase reduced nitrogen species in partial burn FCC processes | W. R. GRACE & CO.-CONN. (US) | 2011-03-22 | — | — | US | disclosed |
| US-7906015-B2 | Reduction of gas phase reduced nitrogen species in partial burn FCC processes | W.R. GRACE & CO.-CONN. (US) | 2011-03-15 | — | — | US | disclosed |
| US-20090223860-A1 | Reduction of gas phase reduced nitrogen species in partial burn FCC processes | W. R. GRACE & CO.-CONN. | 2009-09-10 | — | — | US | disclosed |
| CN-100484623-C | NOx reduction compositions for use in FCC processes | GRACE W R & CO (US) | 2009-05-06 | — | — | CN | disclosed |
| CN-100415376-C | Reduced NO for use in FCC processesxOf (2) | GRACE W R & CO (US) | 2008-09-03 | — | — | CN | disclosed |
| CN-100387343-C | NOx reduction compositions for use in FCC processes | GRACE W R & CO (US) | 2008-05-14 | — | — | CN | disclosed |
| US-7307038-B2 | NOx reduction compositions for use in FCC processes | W.R. GRACE & CO. -CONN. (US) | 2007-12-11 | — | — | US | disclosed |
| CN-101024179-A | NOx reduction compositions for use in FCC processes | GRACE W R & CO (US) | 2007-08-29 | — | — | CN | disclosed |
| US-5866746-A | GROUP 8 PRECIOUS METAL; TI OR AR; GE, SN, PB, RE, W, OR IN, HALOGEN | INSTITUT FRANCAIS DU PETROLE (FR) | 1999-02-02 | — | — | US | disclosed |
| EP-0454022-B1 | Catalyst and process for dehydrogenation and dehydrocyclization | PHILLIPS PETROLEUM CO (US) | 1995-02-15 | — | — | EP | disclosed |
| US-5143888-A | Dehydrogenation, dehydrocyclization | PHILLIPS PETROLEUM COMPANY (US) | 1992-09-01 | — | — | US | disclosed |
| US-5073662-A | Zinc aluminate with calcium aluminate as catalyst support | PHILLIPS PETROLEUM COMPANY (US) | 1991-12-17 | — | — | US | disclosed |
| EP-0454022-A1 | Catalyst and process for dehydrogenation and dehydrocyclization | PHILLIPS PETROLEUM COMPANY (US) | 1991-10-30 | — | — | EP | disclosed |
| EP-0166359-B1 | RECYCLE OF BUTADIENE PRODUCT IN CATALYTIC DEHYDROGENATION PROCESS | PHILLIPS PETROLEUM COMPANY (US) | 1990-08-01 | — | — | EP | disclosed |
| US-4831009-A | CALCINING METAL SALTS AND ALUMINA; USING THEIR AQUEOUS DISPERSION AS WASHCOAT | W. R. GRACE & CO.-CONN. (US) | 1989-05-16 | — | — | US | disclosed |
| US-4762567-A | PLATINUM PALLADIUM OR RHODIUM DISPERSED ON ALUMINA | W. R. GRACE & CO. (US) | 1988-08-09 | — | — | US | disclosed |
| EP-0166359-A2 | Recycle of butadiene product in catalytic dehydrogenation process | PHILLIPS PETROLEUM COMPANY (US) | 1986-01-02 | — | — | EP | disclosed |
| US-4206035-A | CATALYTIC DEHYDROGENATION | PHILLIPS PETROLEUM COMPANY (US) | 1980-06-03 | — | — | US | disclosed |