⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13090084 | 0.79 | GRIN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6998701 | 0.71 | — | — | |
| SCHEMBL1627394 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7479870 | 0.64 | — | — | |
| SCHEMBL1509684 | 0.64 | — | — | |
| SCHEMBL13320618 | 0.63 | CAPN1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL19411997 | 0.62 | KDM4E (0.42) | — | |
| SCHEMBL19006087 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL21880023 | 0.62 | KDM4E (0.42) | — | |
| SCHEMBL17794528 | 0.61 | KDM4E (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |
| WO-2024134541-A1 | HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS | iTeos Belgium SA (BE) | 2024-06-27 | — | — | WO | disclosed |
| US-9527828-B2 | Method for expanding hematopoietic stem cells using heterocyclic compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2016-12-27 | — | — | US | disclosed |
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |
| EP-1049697-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037645-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |