⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12549120 | 0.97 | ALDH1A1 (0.30) | — | |
| SCHEMBL27661981 | 0.93 | — | — | |
| SCHEMBL5587723 | 0.93 | — | — | |
| SCHEMBL18529242 | 0.80 | — | — | |
| SCHEMBL12744890 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL5073255 | 0.71 | CES2 (0.30) | — | |
| SCHEMBL9239388 | 0.71 | CES2 (0.30) | — | |
| SCHEMBL17154313 | 0.71 | — | — | |
| SCHEMBL7173810 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL19407865 | 0.70 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114980975-A | Dihydrocyclopentaisoquinoline sulfonamide derivatives | UCB生物制药有限责任公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-114845778-A | Dihydrocyclopentaisoquinoline sulfonamide derivative compound | UCB生物制药有限责任公司 | 2022-08-02 | — | — | CN | disclosed |