⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150937 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL27497644 | 0.95 | — | — | |
| Water SCHEMBL28289263 | 0.95 | — | — | |
| Iodide SCHEMBL27807077 | 0.95 | — | — | |
| Ethane SCHEMBL7484558 | 0.95 | TERT (0.50) | — | |
| Bromide SCHEMBL27939717 | 0.95 | — | — | |
| Benzene SCHEMBL28414414 | 0.93 | TAAR1 (0.52) | — | |
| SCHEMBL9184267 | 0.91 | TAAR1 (0.47) | — | |
| SCHEMBL28852528 | 0.90 | TERT (0.46) | — | |
| SCHEMBL28114979 | 0.90 | TERT (0.46) | — |
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-103387512-B | A kind of Preparation Method And Their Intermediate of minocycline | 成都睿智化学研究有限公司 | 2016-08-31 | — | — | CN | claimed |
| CN-103387512-B | A kind of Preparation Method And Their Intermediate of minocycline | 成都睿智化学研究有限公司 | 2016-08-31 | — | — | CN | disclosed |