⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11304316 | 0.84 | — | — | |
| SCHEMBL11301545 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL11300522 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL575162 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL11303393 | 0.77 | — | — | |
| SCHEMBL11303938 | 0.75 | NR1I2 (0.31) | — | |
| SCHEMBL11304306 | 0.75 | — | — | |
| SCHEMBL11305739 | 0.74 | — | — | |
| SCHEMBL11309796 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL11304294 | 0.74 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4259350-A | PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK | SANKYO COMPANY LIMITED (JP) | 1981-03-31 | — | — | US | disclosed |