⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL483026 | 0.96 | CYP2D6 (0.56) | — | |
| SCHEMBL60043 | 0.96 | — | — | |
| SCHEMBL9140511 | 0.93 | — | — | |
| SCHEMBL27510223 | 0.93 | — | — | |
| SCHEMBL8511067 | 0.93 | — | — | |
| SCHEMBL6915599 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL29721561 | 0.93 | — | — | |
| Ethane SCHEMBL10904347 | 0.90 | — | — | |
| Benzene SCHEMBL28164580 | 0.90 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL27808643 | 0.90 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117897149-A | 3, 4-methylenedioxymethamphetamine and related hallucinogens and uses thereof | 人类生物科学股份有限公司 | 2024-04-16 | — | — | CN | disclosed |