⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29956233 | 0.96 | — | — | |
| SCHEMBL11256487 | 0.96 | — | — | |
| SCHEMBL455386 | 0.96 | ALDH1A1 (0.53) | — | |
| SCHEMBL31421734 | 0.96 | — | — | |
| SCHEMBL23312 | 0.96 | — | — | |
| Water SCHEMBL11216754 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1291178 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL159297 | 0.92 | — | — | |
| SCHEMBL8902015 | 0.92 | — | — | |
| SCHEMBL15820259 | 0.92 | — | — |
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-107847837-A | For separating the polymer film of gas | 俄亥俄州创新基金会 | 2018-03-27 | — | — | CN | disclosed |