⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1712691 | 1.00 | — | — | |
| SCHEMBL2389048 | 0.86 | CTSK (0.31) | — | |
| SCHEMBL1306523 | 0.79 | KCNH2 (0.35) | — | |
| SCHEMBL3953968 | 0.76 | CTSK (0.45) | — | |
| SCHEMBL2017440 | 0.76 | USP30 (0.41) | — | |
| SCHEMBL9034354 | 0.74 | — | — | |
| SCHEMBL3630602 | 0.72 | VCP (0.33) | — | |
| SCHEMBL1307609 | 0.72 | VCP (0.33) | — | |
| SCHEMBL1842140 | 0.70 | — | — | |
| SCHEMBL1307244 | 0.69 | CTSK (0.76) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10626103-B2 | Inhibitor of lysine specific demethylase-1 | CELGENE QUANTICEL RESEARCH, INC. (US) | 2020-04-21 | — | — | US | disclosed |
| US-20190194161-A1 | INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 | CELGENE QUANTICEL RESEARCH, INC. (US) | 2019-06-27 | — | — | US | disclosed |