⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL624173 | 0.72 | — | — | |
| SCHEMBL4791939 | 0.72 | — | — | |
| SCHEMBL8674789 | 0.72 | — | — | |
| SCHEMBL10530939 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL388311 | 0.67 | — | — | |
| SCHEMBL4455123 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL5017396 | 0.67 | — | — | |
| SCHEMBL13154178 | 0.67 | — | — | |
| SCHEMBL12263025 | 0.67 | — | — | |
| Thiourea SCHEMBL1395770 | 0.62 | NOS2 (0.36) | — |
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 6 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-20210299070-A1 | METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY | JNANA THERAPEUTICS INC. | 2021-09-30 | — | — | US | disclosed |
| WO-2020061477-A1 | METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY | JNANA THERAPEUTICS, INC. (US) | 2020-03-26 | — | — | WO | disclosed |
| WO-2020061473-A1 | SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS | JNANA THERAPEUTICS, INC. (US) | 2020-03-26 | — | — | WO | disclosed |
| US-20110218101-A1 | CHEMICAL COMPOUNDS | SYNGENTA CROP PROTECTION LLC (US) | 2011-09-08 | — | — | US | disclosed |
| WO-2010054926-A1 | 4-HALO-3 -AMINO- L, 2 -BENZISOTHIAZOLE COMPOUNDS AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-05-20 | — | — | WO | disclosed |