⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21884429 | 0.86 | LRRK2 (0.33) | — | |
| SCHEMBL21884594 | 0.83 | LRRK2 (0.34) | — | |
| SCHEMBL21884517 | 0.83 | HSD17B1 (0.34) | — | |
| SCHEMBL21884598 | 0.81 | CXCR1 (0.35) | — | |
| SCHEMBL23854892 | 0.80 | LRRK2 (0.38) | — | |
| SCHEMBL21884491 | 0.80 | GAA (0.31) | — | |
| SCHEMBL21884453 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL21884499 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL21884597 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL21884648 | 0.76 | CNR2 (0.37) | — |
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 5 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 |
| WO-2020061473-A1 | SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS | JNANA THERAPEUTICS, INC. (US) | 2020-03-26 | — | — | WO | disclosed |