⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23601890 | 0.79 | TP53 (0.39) | — | |
| SCHEMBL23601889 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL23576642 | 0.78 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL29909520 | 0.78 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL23601245 | 0.77 | — | — | |
| SCHEMBL24721230 | 0.74 | PER2 (0.31) | — | |
| SCHEMBL23601061 | 0.72 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL23601988 | 0.72 | — | — | |
| SCHEMBL23578049 | 0.69 | ABCG2 (0.42) | — | |
| SCHEMBL29909895 | 0.68 | — | — |
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-2021130638-A1 | DIACYLGLYCEROL KINASE MODULATING COMPOUNDS | CARNA BIOSCIENCES, INC. (JP) | 2021-07-01 | — | — | WO | disclosed |