⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21884798 | 0.91 | BCAT1 (0.34) | — | |
| SCHEMBL21884485 | 0.90 | CUL4A (0.33) | — | |
| SCHEMBL23854884 | 0.89 | PDK2 (0.31) | — | |
| SCHEMBL21884540 | 0.88 | GAA (0.33) | — | |
| SCHEMBL21884539 | 0.87 | USP30 (0.34) | — | |
| SCHEMBL23854872 | 0.86 | HCRTR1 (0.34) | — | |
| SCHEMBL23854864 | 0.85 | — | — | |
| SCHEMBL21884531 | 0.83 | PDK2 (0.32) | — | |
| SCHEMBL23854856 | 0.82 | HSP90AA1 (0.33) | — | |
| SCHEMBL21884535 | 0.82 | AR (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210371403-A1 | SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS | JNANA THERAPEUTICS INC. | 2021-12-02 | — | — | US | disclosed |
| US-20210371403-A1 | SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS | JNANA THERAPEUTICS INC. | 2021-12-02 | — | — | US | disclosed |
| US-20210299070-A1 | METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY | JNANA THERAPEUTICS INC. | 2021-09-30 | — | — | US | disclosed |
| US-20210299070-A1 | METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY | JNANA THERAPEUTICS INC. | 2021-09-30 | — | — | US | disclosed |