⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24721441 | 0.82 | PTAFR (0.33) | — | |
| SCHEMBL29909326 | 0.82 | PTAFR (0.33) | — | |
| SCHEMBL23601459 | 0.81 | PTAFR (0.31) | — | |
| SCHEMBL30049588 | 0.77 | PTAFR (0.31) | — | |
| SCHEMBL29909637 | 0.77 | PTAFR (0.31) | — | |
| SCHEMBL23576670 | 0.77 | PTAFR (0.31) | — | |
| SCHEMBL30047498 | 0.76 | — | — | |
| SCHEMBL24814753 | 0.76 | — | — | |
| SCHEMBL24815976 | 0.75 | — | — | |
| SCHEMBL30048054 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022271684-A1 | DIACYLGLYERCOL KINASE MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2022-12-29 | — | — | WO | disclosed |