⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1187811 | 0.82 | HSP90AB1 (0.38) | — | |
| SCHEMBL2237455 | 0.82 | — | — | |
| SCHEMBL966033 | 0.79 | HSP90AB1 (0.41) | — | |
| SCHEMBL31025443 | 0.77 | — | — | |
| SCHEMBL1691608 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL472083 | 0.76 | ALDH1A1 (0.49) | — | |
| SCHEMBL4009177 | 0.73 | HSP90AB1 (0.37) | — | |
| SCHEMBL9115764 | 0.73 | HSP90AB1 (0.37) | — | |
| SCHEMBL12028365 | 0.73 | HSP90AB1 (0.40) | — | |
| SCHEMBL4610867 | 0.72 | HSP90AB1 (0.36) | — |
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-105873963-B | Polymer compositions comprising and releasing odorous active compounds | 阿肯马法国公司 | 2021-10-01 | — | — | CN | disclosed |