⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11667029 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL4908709 | 0.76 | P2RX4 (0.31) | — | |
| SCHEMBL3760901 | 0.73 | CES2 (0.31) | — | |
| SCHEMBL11868744 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL11389444 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL11882961 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL8423726 | 0.72 | — | — | |
| SCHEMBL11709141 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL9565455 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL9527213 | 0.72 | LMNA (0.31) | — |
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-1168140-A | Hydroxymethyl imidazodiazepine * and esters thereof | HOFFMANN LA ROCHE (CH) | 1997-12-17 | — | — | CN | disclosed |