⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL158305 | 0.96 | — | — | |
| Ethylene Glycol SCHEMBL27309071 | 0.92 | — | — | |
| Water SCHEMBL28032521 | 0.92 | — | — | |
| Tetrahydrofuran SCHEMBL28213679 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL27337530 | 0.76 | MEN1 (0.69) | — | |
| SCHEMBL10585787 | 0.76 | — | — | |
| SCHEMBL27463363 | 0.76 | MEN1 (0.69) | — | |
| 1-Pentanol SCHEMBL28117530 | 0.74 | SMN1; SMN2 (0.60) | — | |
| SCHEMBL28152624 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL49121 | 0.74 | — | — |
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-104524642-B | The composition and wound dressing of active composition, apparatus and method | 凯希特许有限公司 | 2017-09-19 | — | — | CN | disclosed |