⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9909821 | 1.00 | — | — | |
| SCHEMBL2135122 | 1.00 | — | — | |
| SCHEMBL14566607 | 1.00 | — | — | |
| SCHEMBL16977376 | 1.00 | — | — | |
| SCHEMBL22326842 | 0.83 | TSHR (0.45) | — | |
| SCHEMBL1860976 | 0.73 | — | — | |
| SCHEMBL12792539 | 0.73 | — | — | |
| SCHEMBL25883247 | 0.73 | — | — | |
| SCHEMBL14640324 | 0.73 | — | — | |
| SCHEMBL13452796 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220168440-A1 | ANTIBODY-PYRROLOBENZODIAZEPINE DEPRIVATIVE CONJUGATE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2022-06-02 | — | — | US | disclosed |