⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL560108 | 1.00 | — | — | |
| SCHEMBL27733821 | 0.98 | KCNH2 (0.46) | — | |
| Cyanide SCHEMBL27983394 | 0.95 | KCNH2 (0.44) | — | |
| SCHEMBL11227897 | 0.93 | MEN1 (0.43) | — | |
| SCHEMBL11225932 | 0.88 | MEN1 (0.40) | — | |
| SCHEMBL7534699 | 0.87 | ALOX5 (0.47) | — | |
| SCHEMBL11236569 | 0.84 | MEN1 (0.41) | — | |
| SCHEMBL11233302 | 0.83 | KCNH2 (0.40) | — | |
| SCHEMBL11246750 | 0.83 | MEN1 (0.38) | — | |
| SCHEMBL11796684 | 0.82 | AR (0.44) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12528784-B2 | Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2026-01-20 | — | — | US | disclosed |
| CN-119176826-A | Heterogeneous catalyst for catalyzing alkyne and B2Pin2Method for hydroboration | 昆明理工大学 | 2024-12-24 | — | — | CN | disclosed |
| WO-2024216167-A1 | COMPOSITIONS COMPRISING MODULATORS OF RIBONUCLEOPROTEIN GRANULE FORMATION AND DISSOLUTION AND METHODS OF USE THEREOF | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2024-10-17 | — | — | WO | disclosed |
| US-12065399-B2 | Arylsulfonamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2024-08-20 | — | — | US | disclosed |
| EP-4333819-A1 | TREATMENT OF PHARMACORESISTANT EPILEPSY | Katholieke Universiteit Leuven (BE) | 2024-03-13 | — | — | EP | disclosed |
| WO-2022233877-A1 | TREATMENT OF PHARMACORESISTANT EPILEPSY | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2022-11-10 | — | — | WO | disclosed |
| US-20220306607-A1 | ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2022-09-29 | — | — | US | disclosed |
| WO-2022183034-A1 | NRF2 INHIBITORS AND USES THEREOF CROSS-REFERENCE TO RELATED APPLICATIONS | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2022-09-01 | — | — | WO | disclosed |
| US-20220169599-A1 | ARYLSULFONAMIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2022-06-02 | — | — | US | disclosed |