⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30047532 | 1.00 | — | — | |
| SCHEMBL24813126 | 0.88 | PTAFR (0.30) | — | |
| SCHEMBL30048687 | 0.88 | PTAFR (0.30) | — | |
| SCHEMBL29909151 | 0.84 | — | — | |
| SCHEMBL23577548 | 0.84 | — | — | |
| SCHEMBL24815971 | 0.83 | — | — | |
| SCHEMBL30049134 | 0.83 | — | — | |
| SCHEMBL24814626 | 0.83 | — | — | |
| SCHEMBL24813124 | 0.83 | — | — | |
| SCHEMBL30047972 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117355531-A | Diacylglycerol kinase modulating compounds | 吉利德科学公司 | 2024-01-05 | — | — | CN | disclosed |
| WO-2022271684-A1 | DIACYLGLYERCOL KINASE MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2022-12-29 | — | — | WO | disclosed |