⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL31143648 | 0.85 | — | — | |
| Isopropylamine SCHEMBL1330474 | 0.75 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.72 | — | — | |
| SCHEMBL22719 | 0.72 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.72 | — | — | |
| Isobutane SCHEMBL30260038 | 0.72 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.72 | — | — | |
| SCHEMBL31143751 | 0.71 | — | — | |
| SCHEMBL4735070 | 0.71 | — | — | |
| Isopropylamine SCHEMBL2126457 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12630504-B2 | Phenethylamine derivatives, compositions, and methods of use | CYBIN IRL LIMITED (IE) | 2026-05-19 | — | — | US | disclosed |
| US-20250145566-A1 | PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | CYBIN IRL LIMITED (IE) | 2025-05-08 | — | — | US | disclosed |
| US-20240317704-A1 | PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | CYBIN IRL LIMITED (IE) | 2024-09-26 | — | — | US | disclosed |
| CN-111655688-B | Substituted pyrrolopyridines as ATR inhibitors | 蓝谷制药有限责任公司 | 2023-09-29 | — | — | CN | disclosed |
| US-20100076074-A1 | CARBAMATE REDUCERS OF SKELETAL MUSCLE TENSION | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-03-25 | — | — | US | disclosed |