⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27605871 | 0.84 | — | — | |
| SCHEMBL27803709 | 0.76 | CYP2C19 (0.46) | — | |
| SCHEMBL27682690 | 0.75 | CYP2C19 (0.44) | — | |
| SCHEMBL27706102 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL28295137 | 0.75 | PAOX (0.41) | — | |
| SCHEMBL26726911 | 0.74 | — | — | |
| SCHEMBL27576105 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL27812501 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL28249124 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL27670049 | 0.70 | — | — |
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-101597196-B | Improved drug candidate and preparation method thereof | JIYAKETA CO., LTD. (CH) | 2016-05-04 | — | — | CN | disclosed |