⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28623877 | 0.86 | — | — | |
| Methylamine SCHEMBL977211 | 0.86 | — | — | |
| SCHEMBL37612 | 0.85 | — | — | |
| SCHEMBL9788071 | 0.85 | — | — | |
| SCHEMBL8959501 | 0.82 | — | — | |
| Methylamine SCHEMBL16192540 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3442942 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL10633588 | 0.80 | — | — | |
| Methane SCHEMBL19915300 | 0.80 | — | — | |
| Ethane SCHEMBL5566430 | 0.80 | — | — |
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-106267230-B | Preparation method of pH-sensitive drug self-gated mesoporous nano anti-tumor carrier | 苏州大学 | 2019-01-22 | — | — | CN | claimed |
| CN-105080439-A | Microspheres with high fluorescence intensity and preparation method for microspheres | UNIV SHANGHAI JIAOTONG | 2015-11-25 | — | — | CN | disclosed |