⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24493269 | 0.79 | EGFR (0.30) | — | |
| SCHEMBL6937571 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL19633044 | 0.71 | CHEK1 (0.36) | — | |
| SCHEMBL2295986 | 0.70 | RAB9A (0.37) | — | |
| SCHEMBL30950742 | 0.70 | RAB9A (0.37) | — | |
| SCHEMBL13884321 | 0.69 | RAB9A (0.51) | — | |
| SCHEMBL9635001 | 0.69 | CYP1A2 (0.47) | — | |
| SCHEMBL924413 | 0.69 | CYP1A2 (0.35) | — | |
| SCHEMBL2730845 | 0.69 | MAPT (0.36) | — | |
| SCHEMBL6904988 | 0.68 | TRPA1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11638760-B2 | Pyrrolobenzodiazepine antibody conjugates | MERSANA THERAPEUTICS, INC. (US) | 2023-05-02 | — | — | US | disclosed |
| US-20170369453-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MERSANA THERAPEUTICS, INC. | 2017-12-28 | — | — | US | disclosed |
| US-20170333442-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MERSANA THERAPEUTICS, INC. | 2017-11-23 | — | — | US | disclosed |