⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL151549 | 0.88 | — | — | |
| Carbamic Acid SCHEMBL8379035 | 0.83 | ACHE (0.37) | — | |
| Methanesulfonamide SCHEMBL6097574 | 0.77 | CA1 (0.36) | — | |
| SCHEMBL27387249 | 0.74 | TSHR (0.39) | — | |
| Biphenyl SCHEMBL23849576 | 0.72 | MAPT (0.46) | — | |
| SCHEMBL6098244 | 0.72 | CA12 (0.32) | — | |
| Propene SCHEMBL2687445 | 0.70 | DGAT1 (0.37) | — | |
| Propene SCHEMBL10594790 | 0.69 | — | — | |
| SCHEMBL725542 | 0.67 | — | — | |
| Propene SCHEMBL2938683 | 0.66 | — | — |
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-114605621-B | Hydrogen bond donor-boron organic catalyst and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2024-01-30 | — | — | CN | disclosed |