⚠ 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 SCHEMBL31520291 | 0.80 | — | — | |
| Isopropylamine SCHEMBL9393824 | 0.80 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.78 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.78 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.78 | — | — | |
| Isopropylamine SCHEMBL31143648 | 0.76 | — | — | |
| Isopropylamine SCHEMBL10740624 | 0.72 | — | — | |
| Isopropylamine SCHEMBL11167187 | 0.72 | — | — | |
| Isopropylamine SCHEMBL7198176 | 0.72 | ALDH1A1 (0.42) | — | |
| Isopropylamine SCHEMBL635472 | 0.72 | — | — |
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 4 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-117279917-A | Piperazine derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2023-12-22 | — | — | CN | disclosed |