⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11956479 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL21297374 | 0.86 | KISS1R (0.39) | — | |
| SCHEMBL17662433 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL16248631 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL16692066 | 0.86 | KISS1R (0.39) | — | |
| SCHEMBL19241160 | 0.84 | — | — | |
| SCHEMBL21902132 | 0.84 | OPRK1 (0.31) | — | |
| SCHEMBL24220974 | 0.83 | CYP2C19 (0.38) | — | |
| SCHEMBL21081696 | 0.83 | CYP2C19 (0.38) | — | |
| SCHEMBL16231519 | 0.83 | KDM4E (0.48) | — |
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-10626438-B2 | Fluorescent substrates for determining lysine modifying enzyme activity | THE BROAD INSTITUTE, INC. (US) | 2020-04-21 | — | — | US | disclosed |