⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24900229 | 0.89 | — | — | |
| SCHEMBL24843811 | 0.80 | — | — | |
| SCHEMBL10195612 | 0.78 | BCHE (0.30) | — | |
| SCHEMBL19979191 | 0.78 | — | — | |
| SCHEMBL19403039 | 0.77 | — | — | |
| SCHEMBL2739355 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL19314837 | 0.75 | — | — | |
| SCHEMBL51487 | 0.69 | — | — | |
| SCHEMBL13773198 | 0.69 | — | — | |
| SCHEMBL11986784 | 0.69 | THRB (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2016-09-08 | — | — | US | disclosed |