⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16622199 | 1.00 | — | — | |
| SCHEMBL6932754 | 1.00 | — | — | |
| SCHEMBL12368091 | 0.75 | — | — | |
| SCHEMBL10211113 | 0.75 | — | — | |
| SCHEMBL21827875 | 0.72 | — | — | |
| SCHEMBL21828031 | 0.72 | — | — | |
| SCHEMBL2042473 | 0.72 | — | — | |
| SCHEMBL22032664 | 0.72 | — | — | |
| SCHEMBL22033655 | 0.72 | — | — | |
| SCHEMBL21917460 | 0.72 | — | — |
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-2023003862-A1 | CXCR4 MODULATORS AND USES RELATED THERETO | EMORY UNIVERSITY (US) | 2023-01-26 | — | — | WO | disclosed |
| US-8999966-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-04-07 | — | — | US | disclosed |