⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20663557 | 0.78 | — | — | |
| SCHEMBL21084308 | 0.77 | — | — | |
| SCHEMBL20289420 | 0.74 | — | — | |
| SCHEMBL28851375 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL20283792 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL18914720 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL12878803 | 0.69 | — | — | |
| SCHEMBL21227584 | 0.68 | CHRNB2 (0.30) | — | |
| SCHEMBL2441885 | 0.67 | — | — | |
| SCHEMBL12878810 | 0.67 | TSHR (0.32) | — |
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-2020205564-A1 | CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES | IMMUNOGEN, INC. (US) | 2020-10-08 | — | — | WO | disclosed |