⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21872399 | 0.78 | — | — | |
| SCHEMBL26024421 | 0.76 | NPC1 (0.30) | — | |
| SCHEMBL21936271 | 0.76 | — | — | |
| SCHEMBL19431554 | 0.74 | — | — | |
| SCHEMBL18052979 | 0.70 | APP (0.35) | — | |
| SCHEMBL25859507 | 0.70 | POLB (0.39) | — | |
| SCHEMBL16404877 | 0.68 | HTT (0.40) | — | |
| SCHEMBL24195802 | 0.68 | POLB (0.40) | — | |
| SCHEMBL22513765 | 0.67 | IDO1 (0.32) | — | |
| SCHEMBL21021267 | 0.67 | — | — |
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 |