⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8355186 | 1.00 | — | — | |
| SCHEMBL9346141 | 1.00 | — | — | |
| SCHEMBL7065528 | 1.00 | — | — | |
| SCHEMBL5902150 | 1.00 | — | — | |
| SCHEMBL2043596 | 1.00 | — | — | |
| SCHEMBL547054 | 1.00 | — | — | |
| SCHEMBL11103581 | 0.89 | — | — | |
| SCHEMBL9725008 | 0.88 | — | — | |
| SCHEMBL9475120 | 0.85 | — | — | |
| SCHEMBL9712160 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024143491-A1 | COMPOUND EMITTING LIGHT UNDER SPECIFIC CONDITIONS, AND METHOD FOR DETECTING CANCER STEM CELLS USING SAME | 国立大学法人京都大学 | 2024-07-04 | — | — | WO | disclosed |
| US-20040077555-A1 | Substituted benzene derivatives or salts thereof | ASTELLAS PHARMA INC. (JP) | 2004-04-22 | — | — | US | disclosed |
| EP-1124842-B1 | BETULINIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS | DEUTSCHES KREBSFORSCH (DE) | 2003-05-28 | — | — | EP | disclosed |