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 SCHEMBL28238332 | 0.82 | — | — | |
| Water SCHEMBL8757394 | 0.82 | — | — | |
| Water SCHEMBL93168 | 0.82 | — | — | |
| Water SCHEMBL6855583 | 0.67 | — | — | |
| Water SCHEMBL9709934 | 0.67 | — | — | |
| Water SCHEMBL15901531 | 0.67 | — | — | |
| Water SCHEMBL3106776 | 0.67 | — | — | |
| Water SCHEMBL3141816 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL68250 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9485586 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0653398-B1 | Solid superacid alkylation catalyst compositions and alkylation method using the same | SUN CO INC R & M (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0550149-B1 | Solid-acid alkylation catalyst compositions and alkylation processes using the same | SUN CO INC R & M (US) | 1996-09-04 | — | — | EP | disclosed |
| EP-0547791-B1 | Solid-acid alkylation catalyst compositions and alkylation processes using the same | SUN CO INC R & M (US) | 1996-05-22 | — | — | EP | disclosed |
| US-5493067-A | REACTING PARAFFINS, ISOPARAFFINS AND OLEFINS IN THE PRESENCE OF A CATALYST CONTAINING HETEROPOLYACIDS AND POLYOXOANIONS | SUN COMPANY, INC. (R&M) (US) | 1996-02-20 | — | — | US | disclosed |
| US-5491278-A | Alkylation process using solid superacid catalyst liquid phase | SUN COMPANY, INC. (R&M) (US) | 1996-02-13 | — | — | US | disclosed |
| EP-0653397-A1 | Alkylation process using solid superacid catalyst: liquid phase | SUN COMPANY, INC. (R&M) (US) | 1995-05-17 | — | — | EP | disclosed |
| EP-0653398-A1 | Solid superacid alkylation catalyst compositions and alkylation method using the same | SUN COMPANY, INC. (R&M) (US) | 1995-05-17 | — | — | EP | disclosed |
| US-5321197-A | Using sulfated, calcined oxide catalyst | SUN COMPANY, INC. (R&M) (US) | 1994-06-14 | — | — | US | disclosed |
| US-5310868-A | Alkylation using sulfated and calcined catalyst | SUN COMPANY, INC. (US) | 1994-05-10 | — | — | US | disclosed |
| EP-0550149-A1 | Solid-acid alkylation catalyst compositions and alkylation processes using the same | SUN COMPANY, INC. (R&M) (US) | 1993-07-07 | — | — | EP | disclosed |
| EP-0547791-A1 | Solid-acid alkylation catalyst compositions and alkylation processes using the same | SUN COMPANY, INC. (R&M) (US) | 1993-06-23 | — | — | EP | disclosed |
| US-5214017-A | Metal oxides on sulfated zirconia support | SUN COMPANY, INC. (R&M) (US) | 1993-05-25 | — | — | US | disclosed |
| US-5212136-A | Sulfated metal oxides | SUN COMPANY, INC (R&M) (US) | 1993-05-18 | — | — | US | disclosed |