⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17545819 | 0.69 | — | — | |
| SCHEMBL21718509 | 0.65 | — | — | |
| SCHEMBL21719278 | 0.64 | ALOX5AP (0.32) | — | |
| SCHEMBL1106187 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL21719284 | 0.63 | — | — | |
| SCHEMBL21718514 | 0.63 | — | — | |
| SCHEMBL21719475 | 0.61 | ALOX5AP (0.30) | — | |
| SCHEMBL21719160 | 0.61 | — | — | |
| SCHEMBL14616908 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL14289095 | 0.59 | LMNA (0.38) | — |
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-12637468-B2 | Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators | Shanghai Simr Biotechnology Co., Ltd. (CN) | 2026-05-26 | — | — | US | disclosed |
| EP-4079734-B1 | TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) | 2025-09-17 | — | — | EP | disclosed |
| US-20230136194-A1 | TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Shanghai Simr Biotechnology Co., Ltd. (CN) | 2023-05-04 | — | — | US | disclosed |
| EP-4079734-A1 | TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Shanghai Simr Biotechnology Co., Ltd. (CN) | 2022-10-26 | — | — | EP | disclosed |
| CN-114302886-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2022-04-08 | — | — | CN | disclosed |