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 | |
|---|---|---|---|---|
| SCHEMBL7808118 | 0.99 | — | — | |
| SCHEMBL729334 | 0.73 | MEN1 (0.39) | — | |
| SCHEMBL28700294 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL10614269 | 0.69 | NLRP3 (0.41) | — | |
| SCHEMBL29916100 | 0.67 | PTGS2 (0.60) | — | |
| SCHEMBL19115314 | 0.66 | LMNA (0.40) | — | |
| SCHEMBL29067528 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL29492947 | 0.65 | DUSP3 (0.34) | — | |
| SCHEMBL21244887 | 0.63 | EGFR (0.45) | — | |
| SCHEMBL20308291 | 0.63 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0727424-A2 | Process for the preparation of sulfonylurea derivatives and intermediates for this process | LUCKY LTD. (KR) | 1996-08-21 | — | — | EP | claimed |
| EP-0727423-A2 | Process for the preparation of sulfonylurea derivatives and intermediates for this process | LUCKY LTD. (KR) | 1996-08-21 | — | — | EP | claimed |
| US-5534637-A | CHEMICAL INTERMEDIATES | LUCKY LTD. (KR) | 1996-07-09 | — | — | US | claimed |
| EP-0613896-A1 | Process for the preparation of sulfonylurea derivatives and intermediates for this process | LUCKY LTD. (KR) | 1994-09-07 | — | — | EP | claimed |
| EP-0727423-A2 | Process for the preparation of sulfonylurea derivatives and intermediates for this process | LUCKY LTD. (KR) | 1996-08-21 | — | — | EP | disclosed |
| EP-0727424-A2 | Process for the preparation of sulfonylurea derivatives and intermediates for this process | LUCKY LTD. (KR) | 1996-08-21 | — | — | EP | disclosed |
| US-5534637-A | CHEMICAL INTERMEDIATES | LUCKY LTD. (KR) | 1996-07-09 | — | — | US | disclosed |
| US-5525730-A | Processes for preparation of sulfonylurea derivatives | LUCKY LIMITED (KR) | 1996-06-11 | — | — | US | disclosed |
| US-5480993-A | Process for preparation of sulfonylurea derivatives and intermediates for the process and process for preparing the same | LUCKY LTD. (KR) | 1996-01-02 | — | — | US | disclosed |
| EP-0613896-A1 | Process for the preparation of sulfonylurea derivatives and intermediates for this process | LUCKY LTD. (KR) | 1994-09-07 | — | — | EP | disclosed |