⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6905039 | 0.73 | MALT1 (0.38) | — | |
| SCHEMBL1820109 | 0.68 | RAB9A (0.53) | — | |
| SCHEMBL6683871 | 0.67 | HTR6 (0.37) | — | |
| SCHEMBL6906313 | 0.67 | CES1 (0.45) | — | |
| SCHEMBL28716777 | 0.66 | MEN1 (0.32) | — | |
| SCHEMBL29521975 | 0.66 | MEN1 (0.32) | — | |
| SCHEMBL2328364 | 0.64 | ACHE (0.37) | — | |
| SCHEMBL30191469 | 0.63 | NOTUM (0.39) | — | |
| SCHEMBL15573886 | 0.63 | NOTUM (0.39) | — | |
| SCHEMBL7633782 | 0.62 | ALDH1A1 (0.41) | — |
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-107033164-A | Prepare the synthetic method of ecteinascidin compounds | 法马马有限公司 | 2017-08-11 | — | — | CN | disclosed |