⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28077224 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL6810 | 0.93 | — | — | |
| SCHEMBL18601405 | 0.86 | — | — | |
| SCHEMBL22772234 | 0.86 | — | — | |
| SCHEMBL28487020 | 0.86 | — | — | |
| Potassium SCHEMBL2716306 | 0.86 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7596341 | 0.86 | — | — | |
| SCHEMBL2715814 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL1146501 | 0.86 | — | — | |
| SCHEMBL31135287 | 0.86 | — | — |
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-107428876-A | chain shuttling agent adding method | 陶氏环球技术有限责任公司 | 2017-12-01 | — | — | CN | disclosed |