⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27655199 | 0.98 | ACHE (0.54) | — | |
| Hydrochloric Acid SCHEMBL27511417 | 0.98 | ACHE (0.54) | — | |
| Tetrahydrofuran SCHEMBL28758491 | 0.83 | ALDH1A1 (0.43) | — | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.81 | ACHE (0.70) | — | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.81 | ACHE (0.70) | — | |
| 1,3-Dimethoxybenzene SCHEMBL7860661 | 0.78 | ACHE (0.67) | — | |
| 1,3-Dimethoxybenzene SCHEMBL28542304 | 0.78 | ACHE (0.67) | — | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.78 | ACHE (0.67) | — | |
| 1,3-Dimethoxybenzene SCHEMBL15870025 | 0.78 | ACHE (0.67) | — | |
| 1,3-Dimethoxybenzene SCHEMBL28135915 | 0.78 | ACHE (0.67) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230174520-A1 | 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives | GRUENENTHAL GMBH (DE) | 2023-06-08 | — | — | US | disclosed |
| US-20210179592-A1 | 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2021-06-17 | — | — | US | disclosed |
| US-20180327392-A1 | 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2018-11-15 | — | — | US | disclosed |