⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13559968 | 0.72 | — | — | |
| SCHEMBL20844305 | 0.69 | — | — | |
| SCHEMBL18250279 | 0.69 | PTGS2 (0.47) | — | |
| SCHEMBL21476746 | 0.68 | — | — | |
| SCHEMBL21119068 | 0.67 | — | — | |
| SCHEMBL25592812 | 0.67 | — | — | |
| SCHEMBL20804829 | 0.67 | — | — | |
| SCHEMBL17988191 | 0.65 | CYP1A2 (0.36) | — | |
| SCHEMBL24130319 | 0.64 | — | — | |
| SCHEMBL14566025 | 0.61 | EGFR (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 |
|---|---|---|---|---|---|---|---|
| WO-2019104289-A1 | PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES | MERSANA THERAPEUTICS, INC. (US) | 2019-05-31 | — | — | WO | disclosed |