⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16900182 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL7010654 | 0.59 | — | — | |
| SCHEMBL1012075 | 0.57 | — | — | |
| SCHEMBL16900343 | 0.54 | ALDH1A1 (0.38) | — | |
| SCHEMBL8589040 | 0.50 | — | — | |
| SCHEMBL9592858 | 0.49 | — | — | |
| SCHEMBL17321834 | 0.48 | AR (0.30) | — | |
| SCHEMBL10001971 | 0.48 | AR (0.30) | — | |
| SCHEMBL17670895 | 0.48 | — | — | |
| SCHEMBL2379897 | 0.42 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59141526-A | — | — | None | — | — | JP | disclosed |
| JP-59010529-A | — | — | None | — | — | JP | disclosed |
| JP-S59141526-A | QUADRICYCLENE DERIVATIVE AND METHOD FOR STORING LIGHT ENERGY | DAINIPPON INK & CHEM INC | 1984-08-14 | — | — | JP | disclosed |
| JP-S5910529-A | PRODUCTION OF NORBORNADIENE DERIVATIVE | DAINIPPON INK & CHEM INC | 1984-01-20 | — | — | JP | disclosed |