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 | |
|---|---|---|---|---|
| SCHEMBL30882005 | 0.82 | — | — | |
| SCHEMBL31207125 | 0.82 | — | — | |
| SCHEMBL7648855 | 0.82 | — | — | |
| SCHEMBL36463 | 0.82 | — | — | |
| SCHEMBL11676053 | 0.82 | — | — | |
| SCHEMBL7543167 | 0.82 | — | — | |
| SCHEMBL7544100 | 0.82 | — | — | |
| SCHEMBL3200976 | 0.82 | — | — | |
| Water SCHEMBL73784 | 0.82 | — | — | |
| Water SCHEMBL31500898 | 0.78 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4392477-A1 | FLAME-PROOF, PARTIALLY AROMATIC POLYAMIDES | EMS-CHEMIE AG (CH) | 2024-07-03 | — | — | EP | disclosed |
| WO-2023025741-A1 | FLAME-PROOF, PARTIALLY AROMATIC POLYAMIDES | EMS-CHEMIE AG (CH) | 2023-03-02 | — | — | WO | disclosed |
| US-11364484-B2 | Manganese oxide-lanthanum manganate-PGM composites for TWC applications | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2022-06-21 | — | — | US | disclosed |
| WO-2020208340-A1 | MANGANESE OXIDE-LANTHANUM MANGANATE PEROVSKITE-PGM COMPOSITES FOR THREE-WAY CATALYSIS | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2020-10-15 | — | — | WO | disclosed |
| US-20200316568-A1 | MANGANESE OXIDE-LANTHANUM MANGANATE-PGM COMPOSITES FOR TWC APPLICATIONS | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2020-10-08 | — | — | US | disclosed |
| EP-3718627-A1 | MANGANESE OXIDE-LANTHANUM MANGANATE PEROVSKITE-PGM COMPOSITES FOR THREE-WAY CATALYSIS | Johnson Matthey Public Limited Company (GB) | 2020-10-07 | — | — | EP | disclosed |
| US-5536449-A | Sintering ceramic for stable high-temperature thermistors and method for producing the same | SIEMENS AKTIENGESELLSCHAFT (DE) | 1996-07-16 | — | — | US | disclosed |