⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126243 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL27842917 | 0.73 | — | — | |
| SCHEMBL16409171 | 0.72 | — | — | |
| SCHEMBL128025 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28180479 | 0.69 | — | — | |
| SCHEMBL10404 | 0.68 | — | — | |
| SCHEMBL5904396 | 0.68 | — | — | |
| SCHEMBL1490962 | 0.67 | — | — | |
| SCHEMBL1964492 | 0.67 | — | — | |
| SCHEMBL498933 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| US-20240010647-A1 | SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS | NEUROCRINE BIOSCIENCES, INC. | 2024-01-11 | — | — | US | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | disclosed |
| CN-107207476-B | Indole and azaindole derivatives and their use in neurodegenerative diseases | 默克专利有限公司 | 2021-03-19 | — | — | CN | disclosed |
| US-9556117-B2 | Indole carboxamide derivatives as P2X7 receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2017-01-31 | — | — | US | disclosed |
| US-20150344425-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-12-03 | — | — | US | disclosed |
| CN-104854087-A | As P2X7Indole carboxamide derivatives of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-08-19 | — | — | CN | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |