⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL7587 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL147668 | 0.94 | — | — | |
| Methane SCHEMBL27374012 | 0.88 | — | — | |
| Methane SCHEMBL11665208 | 0.88 | — | — | |
| SCHEMBL27986358 | 0.87 | CA5A (0.33) | — | |
| SCHEMBL254 | 0.87 | — | — | |
| SCHEMBL9540531 | 0.87 | — | — | |
| SCHEMBL6681816 | 0.87 | — | — | |
| Ethane SCHEMBL10742901 | 0.82 | KDM4E (0.36) | — | |
| Methane SCHEMBL3783893 | 0.82 | — | — |
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-107428736-A | Oneself chemotactic element inhibitor | 癌症研究科技有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105188371-A | Erk inhibitors and uses thereof | CELGENE AVILOMICS RES INC | 2015-12-23 | — | — | CN | disclosed |