⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30870484 | 0.98 | MAPK1 (0.35) | — | |
| SCHEMBL29005370 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL10759 | 0.70 | — | — | |
| SCHEMBL29431626 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL8971987 | 0.68 | MAPK1 (0.46) | — | |
| SCHEMBL485470 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL29424070 | 0.68 | MAPK1 (0.46) | — | |
| SCHEMBL30436506 | 0.67 | ADORA2A (0.40) | — | |
| SCHEMBL14438024 | 0.67 | ADORA2A (0.40) | — | |
| SCHEMBL30932086 | 0.65 | — | — |
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 207 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260028347-A1 | HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC THERAPEUTICS INC (US) | 2026-01-29 | — | — | US | disclosed |
| EP-4642784-A1 | HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 | PTC Therapeutics, Inc. (US) | 2025-11-05 | — | — | EP | disclosed |
| WO-2024249539-A1 | 5,6 UNSATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 | MERCK SHARP & DOHME LLC (US) | 2024-12-05 | — | — | WO | disclosed |
| US-20240400571-A1 | 5,6 UNSATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 | MERCK SHARP & DOHME LLC (US) | 2024-12-05 | — | — | US | disclosed |
| WO-2024145623-A1 | HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 | PTC THERAPEUTICS, INC. (US) | 2024-07-04 | — | — | WO | disclosed |
| US-20240132509-A1 | HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC THERAPEUTICS INC (US) | 2024-04-25 | — | — | US | disclosed |
| CN-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-117069724-A | Fused ring compounds, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-117069725-A | Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application | 上海赛默罗生物科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| WO-2023216753-A1 | IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 上海赛默罗生物科技有限公司 | 2023-11-16 | — | — | WO | disclosed |
| US-20100197716-A1 | N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-05 | — | — | US | disclosed |
| US-7700620-B2 | C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-20 | — | — | US | disclosed |
| US-20090325992-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2009-12-31 | — | — | US | disclosed |
| US-7605168-B2 | Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline | PLEXXIKON, INC. (US) | 2009-10-20 | — | — | US | disclosed |
| US-7605168-B2 | Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline | PLEXXIKON, INC. (US) | 2009-10-20 | — | — | US | disclosed |
| EP-2055705-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | Ono Pharmaceutical CO., LTD. (JP) | 2009-05-06 | — | — | EP | disclosed |
| US-20080234349-A1 | PPAR active compounds | PLEXXIKON INC. | 2008-09-25 | — | — | US | disclosed |
| US-20080234349-A1 | PPAR active compounds | PLEXXIKON INC. | 2008-09-25 | — | — | US | disclosed |
| WO-2007030574-A2 | 1 , 4 AND 1 , 5-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS | PLEXXIKON, INC. (US) | 2007-03-15 | — | — | WO | disclosed |
| WO-2006026754-A2 | BICYCLIC HETEROARYL PDE4B INHIBITORS | PLEXXIKON, INC. (US) | 2006-03-09 | — | — | WO | disclosed |