⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL342325 | 0.86 | PSEN1 (0.31) | — | |
| SCHEMBL15969015 | 0.86 | PSEN1 (0.31) | — | |
| SCHEMBL2511023 | 0.81 | — | — | |
| SCHEMBL28933685 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL2358571 | 0.75 | PTGS1 (0.31) | — | |
| SCHEMBL423792 | 0.75 | — | — | |
| SCHEMBL18052244 | 0.75 | FFAR3 (0.39) | — | |
| SCHEMBL19210808 | 0.74 | — | — | |
| SCHEMBL9724332 | 0.74 | — | — | |
| SCHEMBL2368119 | 0.74 | PTGS1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10544156-B2 | Hemi-synthetic trilobine analogs for use as a drug | PIERRE FABRE MEDICAMENT (FR) | 2020-01-28 | — | — | US | disclosed |