⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25822465 | 0.74 | — | — | |
| SCHEMBL25840628 | 0.73 | — | — | |
| SCHEMBL29191460 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8682355 | 0.70 | — | — | |
| SCHEMBL27619763 | 0.70 | — | — | |
| SCHEMBL12212555 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL5775096 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27624460 | 0.65 | — | — | |
| SCHEMBL3612747 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL27315754 | 0.62 | — | — |
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-107473976-B | A kind of preparation method of N- methoxyl methyl aminated compounds | 中国科学院大连化学物理研究所 | 2019-07-12 | — | — | CN | disclosed |
| CN-107473976-A | A kind of preparation method of N methoxyl methyls aminated compounds | 中国科学院大连化学物理研究所 | 2017-12-15 | — | — | CN | disclosed |