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 | |
|---|---|---|---|---|
| SCHEMBL8976309 | 0.98 | TDP1 (0.31) | — | |
| SCHEMBL31623967 | 0.66 | — | — | |
| Sulfuric Acid SCHEMBL8777499 | 0.66 | — | — | |
| SCHEMBL8469540 | 0.63 | — | — | |
| SCHEMBL248445 | 0.63 | — | — | |
| Water SCHEMBL8975881 | 0.63 | HDAC8 (0.46) | — | |
| SCHEMBL8347970 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL4647424 | 0.59 | — | — | |
| SCHEMBL14964777 | 0.58 | — | — | |
| SCHEMBL5831499 | 0.54 | ALDH1A1 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532687-B1 | SEMIPERMEABLE COMPOSITE MEMBRANE | TNO (NL) | 1996-04-17 | — | — | EP | claimed |
| US-5348652-A | Ampholytic polymer | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 1994-09-20 | — | — | US | claimed |
| EP-0532687-A1 | SEMIPERMEABLE COMPOSITE MEMBRANE. | TNO (NL) | 1993-03-24 | — | — | EP | claimed |
| WO-1991018666-A1 | SEMIPERMEABLE COMPOSITE MEMBRANE | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 1991-12-12 | — | — | WO | claimed |
| EP-0532687-B1 | SEMIPERMEABLE COMPOSITE MEMBRANE | TNO (NL) | 1996-04-17 | — | — | EP | disclosed |
| US-5348652-A | Ampholytic polymer | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 1994-09-20 | — | — | US | disclosed |
| EP-0532687-A1 | SEMIPERMEABLE COMPOSITE MEMBRANE. | TNO (NL) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991018666-A1 | SEMIPERMEABLE COMPOSITE MEMBRANE | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 1991-12-12 | — | — | WO | disclosed |