⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17865268 | 0.66 | — | — | |
| SCHEMBL15161170 | 0.59 | — | — | |
| SCHEMBL7865708 | 0.59 | KMT2A (0.47) | — | |
| SCHEMBL9976202 | 0.58 | — | — | |
| SCHEMBL12198923 | 0.56 | — | — | |
| SCHEMBL19153283 | 0.55 | — | — | |
| SCHEMBL13120816 | 0.55 | ALOX12 (0.56) | — | |
| SCHEMBL13523518 | 0.55 | — | — | |
| SCHEMBL12554695 | 0.55 | — | — | |
| SCHEMBL13069510 | 0.55 | — | — |
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-2020142486-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2020-07-09 | — | — | WO | disclosed |