⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29473567 | 0.79 | IDO1 (0.31) | — | |
| SCHEMBL272379 | 0.79 | IDO1 (0.31) | — | |
| SCHEMBL27458463 | 0.77 | IDO1 (0.30) | — | |
| SCHEMBL30801318 | 0.69 | — | — | |
| SCHEMBL25242921 | 0.64 | MAOA (0.34) | — | |
| SCHEMBL27839465 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL28869249 | 0.62 | — | — | |
| SCHEMBL5176273 | 0.61 | — | — | |
| SCHEMBL4609898 | 0.61 | — | — | |
| SCHEMBL27587639 | 0.59 | LMNA (0.33) | — |
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-113024553-A | Triazolo tetrahydro-beta-carboline derivative and preparation method and application thereof | 皖南医学院 | 2021-06-25 | — | — | CN | claimed |