⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22988538 | 0.97 | — | — | |
| SCHEMBL22988601 | 0.95 | SIRT2 (0.31) | — | |
| SCHEMBL22988513 | 0.95 | KDM4E (0.32) | — | |
| SCHEMBL22988590 | 0.93 | — | — | |
| SCHEMBL22988596 | 0.92 | — | — | |
| SCHEMBL22988536 | 0.90 | KDM4E (0.33) | — | |
| SCHEMBL22988610 | 0.90 | SIRT2 (0.30) | — | |
| SCHEMBL22988518 | 0.90 | — | — | |
| SCHEMBL22988607 | 0.88 | — | — | |
| SCHEMBL22988537 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021029715-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2021-02-18 | — | — | WO | disclosed |
| US-20160340361-A1 | PIPERIDINE INHIBITORS OF JANUS KINASE 3 | AUSPEX PHARMACEUTICALS, INC. | 2016-11-24 | — | — | US | disclosed |