⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21801564 | 0.68 | — | — | |
| Ethylene SCHEMBL9614894 | 0.62 | CA2 (0.47) | — | |
| SCHEMBL883061 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL242728 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL1118999 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL9732177 | 0.60 | CA2 (0.54) | — | |
| Ammonia Solution, Strong SCHEMBL3994833 | 0.60 | CA2 (0.54) | — | |
| Ammonia Solution, Strong SCHEMBL4926226 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL3459418 | 0.60 | CA2 (0.54) | — | |
| Cyclopropane SCHEMBL27778153 | 0.60 | — | — |
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-2024064178-A1 | HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-03-28 | — | — | WO | claimed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| WO-2024064178-A1 | HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-03-28 | — | — | WO | disclosed |
| 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 |