⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27838341 | 0.82 | ALDH1A1 (0.54) | — | |
| SCHEMBL4768668 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL11830623 | 0.79 | MEN1 (0.44) | — | |
| SCHEMBL11115668 | 0.78 | — | — | |
| SCHEMBL21706524 | 0.78 | — | — | |
| SCHEMBL1314765 | 0.78 | — | — | |
| SCHEMBL29052904 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL16850633 | 0.75 | — | — | |
| SCHEMBL121301 | 0.75 | — | — | |
| SCHEMBL8213363 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115485272-A | PLXDC2 ligands | 朗多生物制药股份有限公司 | 2022-12-16 | — | — | CN | disclosed |
| US-3985740-A | THERAPEUTIC AND ANTIBACTERIAL AGENTS | BRISTOL-MYERS COMPANY (US) | 1976-10-12 | — | — | US | disclosed |