⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21898095 | 1.00 | — | — | |
| SCHEMBL24317095 | 0.92 | — | — | |
| SCHEMBL19364845 | 0.92 | — | — | |
| SCHEMBL19339583 | 0.92 | — | — | |
| SCHEMBL18671430 | 0.79 | — | — | |
| SCHEMBL21554703 | 0.79 | DPP4 (0.32) | — | |
| SCHEMBL26724058 | 0.79 | DPP4 (0.32) | — | |
| SCHEMBL24754130 | 0.79 | — | — | |
| SCHEMBL19364668 | 0.76 | — | — | |
| SCHEMBL26889886 | 0.76 | — | — |
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-11160788-B2 | Caspase-1 inhibition and uses thereof for prevention and treatment of neurological conditions | Leblanc, Andrea | 2021-11-02 | — | — | US | disclosed |
| US-20200123132-A1 | ANTIVIRAL COMPOUNDS | GILEAD PHARMASSET LLC | 2020-04-23 | — | — | US | disclosed |
| US-20190328709-A1 | CASPASE-1 INHIBITION AND USES THEREOF FOR PREVENTION AND TREATMENT OF NEUROLOGICAL CONDITIONS | CASP-AID INC. (CA) | 2019-10-31 | — | — | US | disclosed |
| US-10344019-B2 | Antiviral compounds | GILEAD PHARMASSET LLC (US) | 2019-07-09 | — | — | US | disclosed |
| EP-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |