⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27670396 | 0.88 | CA2 (0.34) | — | |
| SCHEMBL29040960 | 0.84 | CA12 (0.30) | — | |
| SCHEMBL27686710 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL8159896 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL6558593 | 0.77 | — | — | |
| SCHEMBL8072058 | 0.74 | — | — | |
| SCHEMBL253645 | 0.74 | — | — | |
| SCHEMBL16057898 | 0.74 | — | — | |
| SCHEMBL2870119 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL8958511 | 0.73 | — | — |
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-111154830-B | Fungus detection kit and application thereof | 北京大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-111304277-B | Bacterium detection kit and application thereof | 北京大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-111304277-A | Bacterium detection kit and application thereof | 北京大学 | 2020-06-19 | — | — | CN | disclosed |
| CN-111154830-A | Fungus detection kit and application thereof | 北京大学 | 2020-05-15 | — | — | CN | disclosed |