⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28909520 | 0.80 | — | — | |
| SCHEMBL6957514 | 0.79 | — | — | |
| SCHEMBL25514818 | 0.77 | CYP2D6 (0.37) | — | |
| SCHEMBL2121756 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL2121938 | 0.75 | GRIK1 (0.35) | — | |
| SCHEMBL2123313 | 0.75 | — | — | |
| SCHEMBL28909536 | 0.75 | PTPN7 (0.31) | — | |
| SCHEMBL6959259 | 0.73 | — | — | |
| SCHEMBL25884803 | 0.73 | CHRM1 (0.47) | — | |
| SCHEMBL995365 | 0.72 | HMGCR (0.41) | — |
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-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |
| US-20230212164-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-07-06 | — | — | US | disclosed |