⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18541221 | 0.76 | — | — | |
| SCHEMBL20386683 | 0.71 | PDCD1 (0.36) | — | |
| SCHEMBL20577412 | 0.70 | RAPGEF4 (0.32) | — | |
| SCHEMBL11840512 | 0.69 | ACHE (0.35) | — | |
| SCHEMBL29701149 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL15003249 | 0.67 | POLB (0.40) | — | |
| SCHEMBL338590 | 0.66 | TRPA1 (0.32) | — | |
| SCHEMBL532742 | 0.66 | RAPGEF4 (0.34) | — | |
| SCHEMBL31454552 | 0.65 | TAAR1 (0.35) | — | |
| SCHEMBL4177132 | 0.65 | TAAR1 (0.35) | — |
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-20230257400-A1 | METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES | IMMUNOGEN, INC. | 2023-08-17 | — | — | US | disclosed |