⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16907315 | 0.81 | BRD4 (0.37) | — | |
| SCHEMBL21303783 | 0.75 | — | — | |
| SCHEMBL28170421 | 0.69 | MLYCD (0.36) | — | |
| SCHEMBL12486 | 0.65 | — | — | |
| SCHEMBL18742872 | 0.61 | — | — | |
| SCHEMBL2839440 | 0.61 | — | — | |
| SCHEMBL11389546 | 0.61 | — | — | |
| SCHEMBL22910974 | 0.61 | — | — | |
| SCHEMBL7240192 | 0.61 | — | — | |
| SCHEMBL352211 | 0.61 | — | — |
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-11834440-B2 | Beta-lactam derivatives for the treatment of diseases | INSILICO MEDICINE IP LIMITED (HK) | 2023-12-05 | — | — | US | disclosed |
| US-9975896-B2 | Inhibitors of transcription factors and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-22 | — | — | US | disclosed |