⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7417108 | 0.71 | BACE1 (0.51) | — | |
| SCHEMBL7420414 | 0.71 | CYP1A2 (0.56) | — | |
| SCHEMBL7420397 | 0.69 | NOS2 (0.49) | — | |
| SCHEMBL7381137 | 0.68 | NOS2 (0.36) | — | |
| SCHEMBL7412405 | 0.67 | NOS2 (0.35) | — | |
| SCHEMBL7375377 | 0.67 | NOS2 (0.42) | — | |
| SCHEMBL7599428 | 0.66 | NOS2 (0.41) | — | |
| SCHEMBL3715393 | 0.64 | CES1 (0.39) | — | |
| SCHEMBL7135863 | 0.60 | CES1 (0.36) | — | |
| SCHEMBL8057615 | 0.58 | NOS2 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119212730-A | Immunoconjugates comprising anti-CEA antibodies linked by conjugation to one or more 8-Het-2-aminobenzazepine derivatives for the treatment of cancer | 博尔特生物治疗药物有限公司 | 2024-12-27 | — | — | CN | claimed |
| CN-116744978-A | anti-HER 2 immunoconjugates and uses thereof | 博尔特生物治疗药物有限公司 | 2023-09-12 | — | — | CN | claimed |