⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7984091 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL7990097 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL7990091 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL815802 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL17798872 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL1921030 | 0.75 | — | — | |
| SCHEMBL451574 | 0.74 | — | — | |
| SCHEMBL815895 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL4446035 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL23687921 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116174051-B | Alpha, beta-unsaturated aldehyde or ketone hydrogenation method | 中国科学院大连化学物理研究所 | 2024-12-31 | — | — | CN | disclosed |
| CN-116178609-B | Phosphine oxide porous organic polymer and application thereof | 中国科学院大连化学物理研究所 | 2024-12-06 | — | — | CN | disclosed |
| CN-116174051-A | Alpha, beta-unsaturated aldehyde or ketone hydrogenation method | 中国科学院大连化学物理研究所 | 2023-05-30 | — | — | CN | disclosed |
| CN-116178609-A | Phosphine oxide porous organic polymer and application thereof | 中国科学院大连化学物理研究所 | 2023-05-30 | — | — | CN | disclosed |