⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28059543 | 0.97 | HIF1A (0.60) | — | |
| SCHEMBL58606 | 0.97 | — | — | |
| SCHEMBL11773341 | 0.93 | — | — | |
| SCHEMBL27806665 | 0.93 | — | — | |
| SCHEMBL2677189 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL6601155 | 0.93 | — | — | |
| SCHEMBL16859762 | 0.93 | — | — | |
| Ethane SCHEMBL8181219 | 0.90 | — | — | |
| Acetaldehyde SCHEMBL18398682 | 0.88 | — | — | |
| SCHEMBL196890 | 0.87 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117983270-A | Catalyst for preparing 1, 4-butanediol by 4-hydroxybutanal hydrogenation and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-05-07 | — | — | CN | disclosed |