⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473655 | 1.00 | — | — | |
| SCHEMBL2019477 | 1.00 | — | — | |
| SCHEMBL7599222 | 1.00 | — | — | |
| SCHEMBL28168379 | 0.87 | HSD17B10 (0.32) | — | |
| SCHEMBL8996551 | 0.85 | HSD17B10 (0.32) | — | |
| SCHEMBL8996546 | 0.85 | HSD17B10 (0.32) | — | |
| Acrylonitrile SCHEMBL28240761 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL27767467 | 0.82 | — | — | |
| SCHEMBL4557252 | 0.81 | HSD17B10 (0.69) | — | |
| SCHEMBL27289973 | 0.80 | — | — |
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-1254882-A1 | PROCESS FOR PREPARING BICYCLO 2.2.1]HEPTANE DERIVATIVES | IDEMITSU KOSAN CO., LTD. (JP) | 2002-11-06 | — | — | EP | disclosed |