⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27879617 | 0.81 | NR1H2 (0.30) | — | |
| SCHEMBL27896387 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL28054871 | 0.78 | PIK3CD (0.39) | — | |
| SCHEMBL27896399 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL27420086 | 0.74 | RIPK1 (0.30) | — | |
| SCHEMBL27896395 | 0.74 | LMNA (0.41) | — | |
| SCHEMBL27896421 | 0.72 | KMT2A (0.42) | — | |
| SCHEMBL27879651 | 0.71 | — | — | |
| SCHEMBL27896447 | 0.69 | — | — | |
| SCHEMBL14155394 | 0.67 | MMP2 (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-102791693-B | Hepatitis c virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-04-13 | — | — | CN | claimed |