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 SCHEMBL31264255 | 0.82 | — | — | |
| Water SCHEMBL1091537 | 0.67 | — | — | |
| Water SCHEMBL20394655 | 0.67 | — | — | |
| Water SCHEMBL4297057 | 0.67 | — | — | |
| Water SCHEMBL3690084 | 0.67 | — | — | |
| Water SCHEMBL25216927 | 0.67 | — | — | |
| Water SCHEMBL22722943 | 0.67 | — | — | |
| Water SCHEMBL21838570 | 0.67 | — | — | |
| Water SCHEMBL21224255 | 0.67 | — | — | |
| Water SCHEMBL2390298 | 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-7030704-B2 | Method and apparatus for a solid-state atomic frequency standard | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-04-18 | — | — | US | claimed |
| CN-114361603-B | Method for preparing solid electrolyte in situ based on local high-concentration precursor liquid | 临沂大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-110603096-B | Preparation method of dehydrogenation catalyst of linear light hydrocarbon with high regeneration efficiency | 喜星触媒株式会社 | 2023-11-07 | — | — | CN | disclosed |
| CN-114361603-A | Method for preparing solid electrolyte in situ based on local high-concentration precursor liquid | 临沂大学 | 2022-04-15 | — | — | CN | disclosed |
| CN-103483123-B | Method of preparing butadiene from normal alkane | CHINA PETROLEUM & CHEMICAL | 2015-05-13 | — | — | CN | disclosed |
| US-7087801-B2 | Process for catalytic selective oxidation of a hydrocarbon substrate | HALDOR TOPSOE A/S (DK) | 2006-08-08 | — | — | US | disclosed |
| US-7030704-B2 | Method and apparatus for a solid-state atomic frequency standard | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-04-18 | — | — | US | disclosed |
| US-20050088248-A1 | Method and apparatus for a solid-state atomic frequency standard | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2005-04-28 | — | — | US | disclosed |
| EP-1080779-B1 | Reactor for catalytic selective oxidation of a hydrocarbon substrate | HALDOR TOPSOE AS (DK) | 2004-12-08 | — | — | EP | disclosed |
| US-20040082671-A1 | Process for catalytic selective oxidation of a hydrocarbon substrate | HALDOR TOPSOE A/S (DK) | 2004-04-29 | — | — | US | disclosed |
| US-6515146-B1 | Process for the oxidation of a hydrocarbon substrate containing at least 20% by volume of an inert gas to a corresponding oxidized hydrocarbon compound by contacting the hydrocarbon substrate with an oxygen containing atmosphere in | HALDOR TOPSOE A/S (DK) | 2003-02-04 | — | — | US | disclosed |
| EP-1081124-A2 | Process for catalytic selective oxidation of a hydrocarbon substrate | Haldor Topsoe A/S (DK) | 2001-03-07 | — | — | EP | disclosed |
| EP-1080779-A2 | Reactor for catalytic selective oxidation of a hydrocarbon substrate | Haldor Topsoe A/S (DK) | 2001-03-07 | — | — | EP | disclosed |