⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9368199 | 0.73 | — | — | |
| SCHEMBL8484260 | 0.71 | — | — | |
| SCHEMBL3422185 | 0.71 | — | — | |
| SCHEMBL18743115 | 0.71 | — | — | |
| Ether SCHEMBL18281315 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL3141809 | 0.69 | — | — | |
| SCHEMBL16243402 | 0.69 | CES1 (0.31) | — | |
| SCHEMBL378960 | 0.69 | — | — | |
| SCHEMBL15470604 | 0.69 | — | — | |
| SCHEMBL13923769 | 0.69 | CES1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2930176-B1 | HYDANTOIN DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2018-02-07 | — | — | EP | disclosed |