⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15228676 | 0.67 | — | — | |
| SCHEMBL619371 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL230646 | 0.61 | — | — | |
| SCHEMBL11103375 | 0.61 | — | — | |
| Butane SCHEMBL1224843 | 0.59 | — | — | |
| SCHEMBL539018 | 0.58 | — | — | |
| SCHEMBL11207462 | 0.58 | — | — | |
| SCHEMBL27300202 | 0.58 | — | — | |
| Butane SCHEMBL10616978 | 0.55 | — | — | |
| Butane SCHEMBL2204028 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024053650-A1 | COMPOUND HAVING INHIBITORY ACTIVITY AGAINST DIACYLGLYCEROL KINASE α AND/OR ζ, AND PHARMACEUTICAL USE THEREOF | 小野薬品工業株式会社 | 2024-03-14 | — | — | WO | disclosed |
| US-5990094-A | SEROTONIN N-ACETYLTRANSFERASE INHIBITORS WHICH CAN SERVE AS BIOLOGICAL TOOLS THAT HELP REVEAL BIOLOGICAL FUNCTIONS FOR MELATONIN AND PINEAL SEROTONIN IN VIVO; ACETYL-COA N-ACETYL TRYPTAMINE DERIVATIVES OF GIVEN STRUCTURE | THE ROCKEFELLER UNIVERSITY (US) | 1999-11-23 | — | — | US | disclosed |