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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14992528 | 0.82 | — | — | |
| Water SCHEMBL27876469 | 0.71 | — | — | |
| Phosphine SCHEMBL27580273 | 0.71 | — | — | |
| SCHEMBL8840579 | 0.71 | — | — | |
| SCHEMBL798394 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27466519 | 0.71 | — | — | |
| Water SCHEMBL23501481 | 0.50 | — | — | |
| Water SCHEMBL2813134 | 0.50 | — | — | |
| Water SCHEMBL21276 | 0.50 | — | — | |
| Water SCHEMBL23162360 | 0.50 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4234495-A1 | SURFACE-TREATED INFRARED-ABSORBING MICROPARTICLES AND METHOD FOR PRODUCING SAME, INFRARED-ABSORBING MICROPARTICLE DISPERSE SOLUTION, AND INFRARED-ABSORBING MICROPARTICLE DISPERSION | SUMITOMO METAL MINING CO., LTD. (JP) | 2023-08-30 | — | — | EP | disclosed |
| CN-217747083-U | Device for neutralizing zirconium hydroxide alkali | 山东鸿远新材料科技股份有限公司 | 2022-11-08 | — | — | CN | disclosed |