⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5103 | 0.83 | CRBN (0.32) | — | |
| Water SCHEMBL28378213 | 0.80 | CRBN (0.30) | — | |
| SCHEMBL8549704 | 0.76 | — | — | |
| SCHEMBL687309 | 0.76 | — | — | |
| Biguanide SCHEMBL8973578 | 0.76 | CRBN (0.33) | — | |
| SCHEMBL25299203 | 0.72 | — | — | |
| SCHEMBL508005 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL1332813 | 0.71 | — | — | |
| SCHEMBL28767804 | 0.70 | HCAR2 (0.41) | — | |
| SCHEMBL1072996 | 0.70 | HCAR2 (0.41) | — |
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-101371988-A | Method for preparing transitional metal carbides catalytic material and use | UNIV DALIAN TECH (CN) | 2009-02-25 | — | — | CN | disclosed |