⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26857211 | 0.74 | — | — | |
| SCHEMBL20654712 | 0.74 | — | — | |
| SCHEMBL24716244 | 0.73 | — | — | |
| SCHEMBL13261282 | 0.73 | — | — | |
| SCHEMBL13214474 | 0.70 | — | — | |
| SCHEMBL19265033 | 0.70 | — | — | |
| SCHEMBL11915767 | 0.70 | — | — | |
| SCHEMBL21118042 | 0.70 | — | — | |
| SCHEMBL2624938 | 0.70 | — | — | |
| SCHEMBL16900695 | 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-113631229-A | Antibody-pyrrolobenzodiazepine derivative conjugates | 第一三共株式会社 | 2021-11-09 | — | — | CN | disclosed |