⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22154709 | 1.00 | — | — | |
| SCHEMBL31232797 | 0.92 | — | — | |
| SCHEMBL24140468 | 0.85 | ABCB1 (0.35) | — | |
| SCHEMBL30360070 | 0.85 | ABCB1 (0.35) | — | |
| SCHEMBL28634045 | 0.83 | ABCB1 (0.33) | — | |
| SCHEMBL22154599 | 0.83 | ABCB1 (0.33) | — | |
| SCHEMBL28923611 | 0.82 | ABCB1 (0.36) | — | |
| SCHEMBL28923615 | 0.82 | ABCB1 (0.36) | — | |
| SCHEMBL30716467 | 0.81 | ABCB1 (0.31) | — | |
| SCHEMBL25827016 | 0.81 | ABCB1 (0.31) | — |
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-113454097-A | Tubulysins and protein-tubulysin conjugates | 里珍纳龙药品有限公司 | 2021-09-28 | — | — | CN | disclosed |