⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2874564 | 0.80 | KDM4E (0.41) | — | |
| Hydrochloric Acid SCHEMBL28824804 | 0.79 | KDM4E (0.40) | — | |
| SCHEMBL18757975 | 0.79 | ADORA3 (0.35) | — | |
| SCHEMBL28044693 | 0.79 | KDM4E (0.40) | — | |
| Sulfuric Acid SCHEMBL27780947 | 0.75 | KDM4E (0.37) | — | |
| SCHEMBL18757854 | 0.75 | XDH (0.39) | — | |
| SCHEMBL18785688 | 0.72 | MEN1 (0.39) | — | |
| Thiophene SCHEMBL27908543 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL19865521 | 0.67 | GABRP (0.30) | — | |
| SCHEMBL25427079 | 0.66 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11576979-B2 | Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof | GENENTECH, INC. (US) | 2023-02-14 | — | — | US | disclosed |
| WO-2018031662-A1 | PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF | GENENTECH, INC. (US) | 2018-02-15 | — | — | WO | disclosed |