⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12853942 | 0.78 | — | — | |
| SCHEMBL12015524 | 0.78 | — | — | |
| SCHEMBL18213829 | 0.77 | HDAC1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8873563 | 0.76 | — | — | |
| SCHEMBL2089074 | 0.75 | CYP1A2 (0.37) | — | |
| SCHEMBL2098196 | 0.74 | — | — | |
| SCHEMBL22856316 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL5324388 | 0.73 | — | — | |
| SCHEMBL2090494 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL6002649 | 0.71 | RAB9A (0.51) | — |
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 14 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 |
| WO-2023230609-A1 | HETEROCYCLIC PAD4 INHIBITORS | CELGENE CORPORATION (US) | 2023-11-30 | — | — | WO | 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 |
| US-9771320-B2 | Carbocyclic sulfone RORγ modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-20160326103-A1 | CARBOCYCLIC SULFONE ROR GAMMA MODULATORS | BRISTROL-MYERS SQUIBB COMPANY (US) | 2016-11-10 | — | — | US | disclosed |
| US-20140364415-A1 | PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS | PFIZER LIMITED (GB) | 2014-12-11 | — | — | US | disclosed |
| US-8846698-B2 | Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors | PFIZER LIMITED (US) | 2014-09-30 | — | — | US | disclosed |
| US-20120258950-A1 | PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS | PFIZER LIMITED (GB) | 2012-10-11 | — | — | US | disclosed |
| EP-1555257-B1 | PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND | IHARA CHEMICAL IND CO (JP) | 2010-01-20 | — | — | EP | disclosed |
| US-7262316-B2 | Process for producing aromatic nitrile compound | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-20060069282-A1 | Process for producing aromatic nitrile compound | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-03-30 | — | — | US | disclosed |
| EP-1555257-A1 | PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2005-07-20 | — | — | EP | disclosed |