⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82321 | 0.85 | — | — | |
| SCHEMBL7414350 | 0.85 | — | — | |
| SCHEMBL6552327 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL27662755 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27717534 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL28022286 | 0.80 | — | — | |
| SCHEMBL28348968 | 0.80 | — | — | |
| SCHEMBL28376013 | 0.80 | — | — | |
| SCHEMBL30093000 | 0.80 | — | — | |
| Water SCHEMBL27996335 | 0.80 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109757700-A | A kind of durian taste essence and preparation method thereof | 山东天博食品配料有限公司 | 2019-05-17 | — | — | CN | claimed |