⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873801 | 0.95 | — | — | |
| SCHEMBL8572483 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL8686366 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL18189712 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL28492986 | 0.87 | — | — | |
| SCHEMBL2306976 | 0.78 | — | — | |
| SCHEMBL3725238 | 0.78 | — | — | |
| SCHEMBL11106192 | 0.78 | FFAR3 (0.32) | — | |
| Ethane SCHEMBL11430474 | 0.75 | — | — | |
| Ethane SCHEMBL10960831 | 0.75 | FFAR3 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563043-A | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-04-02 | — | — | CN | disclosed |