⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13453319 | 1.00 | — | — | |
| SCHEMBL20369900 | 0.82 | — | — | |
| SCHEMBL21251548 | 0.72 | — | — | |
| SCHEMBL15984716 | 0.71 | — | — | |
| SCHEMBL13149516 | 0.68 | — | — | |
| SCHEMBL13149490 | 0.68 | — | — | |
| SCHEMBL19142930 | 0.63 | — | — | |
| SCHEMBL22840859 | 0.63 | KMT2A (0.42) | — | |
| SCHEMBL14502429 | 0.63 | — | — | |
| SCHEMBL15984717 | 0.62 | HAVCR2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022081912-A2 | HETEROCYCLES AND USES THEREOF | KUMQUAT BIOSCIENCES INC. (US) | 2022-04-21 | — | — | WO | disclosed |
| WO-2011055215-A2 | NOVEL KINASE MODULATORS | INCOZEN THERAPEUTICS PVT. LTD. (IN) | 2011-05-12 | — | — | WO | disclosed |