⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31552897 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL587165 | 0.71 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL194774 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL2722582 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL11032545 | 0.68 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8883895 | 0.67 | — | — | |
| SCHEMBL4742464 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL822980 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL10777594 | 0.62 | — | — | |
| SCHEMBL30920075 | 0.62 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103897193-B | A kind of preparation method of glycidyl mono-substituted double-end amino end-capping reagent | 江南大学 | 2016-08-10 | — | — | CN | claimed |
| CN-103897193-B | A kind of preparation method of glycidyl mono-substituted double-end amino end-capping reagent | 江南大学 | 2016-08-10 | — | — | CN | disclosed |