⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19486451 | 0.75 | — | — | |
| SCHEMBL24938703 | 0.73 | — | — | |
| SCHEMBL20931390 | 0.70 | — | — | |
| SCHEMBL23019159 | 0.59 | — | — | |
| SCHEMBL20440325 | 0.58 | — | — | |
| SCHEMBL19011457 | 0.57 | — | — | |
| SCHEMBL20031228 | 0.55 | — | — | |
| SCHEMBL20040388 | 0.54 | — | — | |
| SCHEMBL19486086 | 0.54 | — | — | |
| SCHEMBL4188239 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017178864-A1 | SEVEN-MEMBERED RING COMPOUNDS | IDEMITSU KOSAN CO., LTD. (JP) | 2017-10-19 | — | — | WO | disclosed |