⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9541336 | 0.79 | CHRNB2 (0.35) | — | |
| SCHEMBL12619157 | 0.79 | CHRNB2 (0.35) | — | |
| SCHEMBL22342332 | 0.76 | FAAH (0.37) | — | |
| SCHEMBL6971610 | 0.76 | — | — | |
| SCHEMBL22342298 | 0.74 | — | — | |
| SCHEMBL497834 | 0.74 | — | — | |
| SCHEMBL19746226 | 0.73 | — | — | |
| SCHEMBL10150427 | 0.73 | PPARA (0.41) | — | |
| SCHEMBL2157843 | 0.72 | — | — | |
| SCHEMBL2722274 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102690262-A | Lead compound of targeted human La protein and application thereof in preparation of anti-hepatitis B virus medicine | SHANGHAI 1ST PEOPLES HOSPITAL | 2012-09-26 | — | — | CN | claimed |