⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24110423 | 0.86 | HTR2C (0.35) | — | |
| SCHEMBL24110203 | 0.85 | HTR2A (0.34) | — | |
| SCHEMBL24110621 | 0.83 | KRAS (0.32) | — | |
| SCHEMBL24110429 | 0.81 | HTR2C (0.35) | — | |
| SCHEMBL24110205 | 0.81 | HTR2A (0.32) | — | |
| SCHEMBL24109764 | 0.78 | HTR2A (0.32) | — | |
| SCHEMBL24110200 | 0.77 | HTR2C (0.34) | — | |
| SCHEMBL24110322 | 0.77 | HTR2C (0.50) | — | |
| SCHEMBL24110433 | 0.77 | HTR2C (0.53) | — | |
| SCHEMBL24110194 | 0.75 | HTR2A (0.36) | — |
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-20230219969-A1 | ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF | DELIX THERAPEUTICS, INC. | 2023-07-13 | — | — | US | disclosed |
| US-20230219969-A1 | ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF | DELIX THERAPEUTICS, INC. | 2023-07-13 | — | — | US | disclosed |
| WO-2021252692-A1 | ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF | DELIX THERAPEUTICS, INC. (US) | 2021-12-16 | — | — | WO | disclosed |