⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21937318 | 0.85 | — | — | |
| SCHEMBL21936271 | 0.81 | — | — | |
| SCHEMBL24901054 | 0.81 | IL1B (0.32) | — | |
| SCHEMBL21936263 | 0.71 | LMNA (0.30) | — | |
| SCHEMBL24900925 | 0.69 | IL1B (0.31) | — | |
| SCHEMBL21937302 | 0.67 | ESR1 (0.32) | — | |
| SCHEMBL21872491 | 0.67 | IL1B (0.34) | — | |
| SCHEMBL24901197 | 0.66 | — | — | |
| SCHEMBL21936204 | 0.64 | IL1B (0.32) | — | |
| SCHEMBL21936811 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3633380-A1 | METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 | Taiho Pharmaceutical Co., Ltd. (JP) | 2020-04-08 | — | — | EP | disclosed |