⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21884457 | 0.93 | HIF1A (0.30) | — | |
| SCHEMBL21884647 | 0.89 | — | — | |
| SCHEMBL24066310 | 0.85 | — | — | |
| SCHEMBL21884536 | 0.84 | PPIA (0.32) | — | |
| SCHEMBL21884409 | 0.80 | PPIA (0.36) | — | |
| SCHEMBL24066343 | 0.80 | — | — | |
| SCHEMBL21884384 | 0.79 | AR (0.34) | — | |
| SCHEMBL21884474 | 0.78 | PPIA (0.36) | — | |
| SCHEMBL21884443 | 0.77 | PPIA (0.38) | — | |
| SCHEMBL21884623 | 0.76 | PPIA (0.31) | — |
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 |