⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27912620 | 0.82 | TXNRD1 (0.30) | — | |
| SCHEMBL27912629 | 0.79 | TXNRD1 (0.30) | — | |
| SCHEMBL27895433 | 0.78 | TXNRD1 (0.34) | — | |
| SCHEMBL27912656 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL2551773 | 0.73 | GAA (0.34) | — | |
| SCHEMBL27912622 | 0.71 | GSR (0.38) | — | |
| SCHEMBL2554640 | 0.69 | AR (0.33) | — | |
| SCHEMBL27662770 | 0.68 | LMNA (0.32) | — | |
| SCHEMBL2556010 | 0.66 | GAA (0.40) | — | |
| SCHEMBL28801534 | 0.66 | MAPT (0.34) | — |
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-102947292-B | nitrogen-containing heteroaryl compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-19 | — | — | CN | disclosed |