⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18950643 | 1.00 | — | — | |
| SCHEMBL21591959 | 0.84 | HTR2A (0.40) | — | |
| SCHEMBL9298695 | 0.83 | KISS1R (0.41) | — | |
| SCHEMBL21718446 | 0.81 | HTR2A (0.32) | — | |
| SCHEMBL12037849 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL18211918 | 0.79 | CYP2C19 (0.36) | — | |
| SCHEMBL19540085 | 0.78 | MEN1 (0.34) | — | |
| SCHEMBL6239009 | 0.77 | — | — | |
| SCHEMBL20156127 | 0.77 | LMNA (0.35) | — | |
| SCHEMBL19018462 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023239906-A2 | SIALIC ACID DERIVATIVES AND METHODS OF USING SAME | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2023-12-14 | — | — | WO | disclosed |
| US-9205101-B2 | Cancer treatment by combining DNA molecules mimicking double strand breaks with hyperthermia | INSTITUT CURIE (FR) | 2015-12-08 | — | — | US | disclosed |