⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL302 | 0.78 | — | — | |
| SCHEMBL9328363 | 0.76 | — | — | |
| Fluoromethane SCHEMBL28150436 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL20854539 | 0.74 | — | — | |
| Methylamine SCHEMBL27537965 | 0.74 | — | — | |
| Dimethyl Sulfoxide SCHEMBL177046 | 0.74 | — | — | |
| Methyl Alcohol SCHEMBL745032 | 0.74 | — | — | |
| Dimethylformamide SCHEMBL4826398 | 0.73 | — | — | |
| Charcoal, Activated SCHEMBL2479918 | 0.72 | — | — | |
| Methane SCHEMBL1818230 | 0.72 | — | — |
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-104892619-A | Preparation method of drug intermediate | DDLD BEIJING PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-09-09 | — | — | CN | claimed |
| CN-104892619-A | Preparation method of drug intermediate | DDLD BEIJING PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-09-09 | — | — | CN | disclosed |