⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22503002 | 0.89 | CDC7 (0.31) | — | |
| SCHEMBL18649629 | 0.74 | RPS6KA3 (0.32) | — | |
| SCHEMBL22628402 | 0.73 | CHRNB2 (0.31) | — | |
| SCHEMBL28627557 | 0.71 | CDC7 (0.31) | — | |
| SCHEMBL13455921 | 0.69 | — | — | |
| SCHEMBL15456362 | 0.69 | ADRB1 (0.33) | — | |
| SCHEMBL6104496 | 0.68 | — | — | |
| SCHEMBL22102667 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL23861313 | 0.67 | NPC1 (0.40) | — | |
| SCHEMBL2546921 | 0.67 | RIPK2 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3697758-B1 | SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2022-07-06 | — | — | EP | disclosed |
| US-9598381-B2 | SMYD2 inhibitors | ABBVIE INC. (US) | 2017-03-21 | — | — | US | disclosed |
| US-9458118-B2 | Sodium channel modulators for the treatment of pain and diabetes | CHROMOCELL CORPORATION (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160130239-A1 | SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES | CHROMOCELL CORPORATION (US) | 2016-05-12 | — | — | US | disclosed |
| US-20160031838-A1 | SMYD2 INHIBITORS | ABBVIE INC. | 2016-02-04 | — | — | US | disclosed |