⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13883575 | 0.93 | HDAC3 (0.33) | — | |
| SCHEMBL10866810 | 0.87 | HDAC3 (0.41) | — | |
| SCHEMBL14571201 | 0.84 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL27436145 | 0.84 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL17488363 | 0.80 | KDM4E (0.50) | — | |
| SCHEMBL23475911 | 0.79 | CA3 (0.38) | — | |
| SCHEMBL27446754 | 0.79 | MEN1 (0.44) | — | |
| SCHEMBL14002750 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL1387175 | 0.77 | — | — | |
| SCHEMBL6755662 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4212180-A1 | MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF | The Scripps Research Institute (US) | 2023-07-19 | — | — | EP | disclosed |
| US-8999965-B2 | Anthraquinone based near IR emitting compounds and uses thereof | Life Technologies Corporation (US) | 2015-04-07 | — | — | US | disclosed |
| US-20120028249-A1 | ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF | Life Technologies Corporation (US) | 2012-02-02 | — | — | US | disclosed |