⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82607 | 0.74 | — | — | |
| SCHEMBL23619614 | 0.72 | — | — | |
| SCHEMBL1557017 | 0.72 | PIK3CD (0.47) | — | |
| Fluoride SCHEMBL9547349 | 0.71 | — | — | |
| SCHEMBL4807920 | 0.70 | — | — | |
| SCHEMBL19981720 | 0.70 | — | — | |
| SCHEMBL5465365 | 0.70 | — | — | |
| SCHEMBL19427323 | 0.70 | CYP1A2 (0.43) | — | |
| SCHEMBL14357416 | 0.69 | GAA (0.39) | — | |
| SCHEMBL7904697 | 0.67 | P2RX7 (0.39) | — |
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-20170233352-A1 | HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME | MEMORIAL SLOAN KETTERING CANCER CENTER | 2017-08-17 | — | — | US | disclosed |
| US-20170143706-A1 | SELECTIVE KINASE INHIBITORS | GOLUB CAPITAL LLC, AS COLLATERAL AGENT | 2017-05-25 | — | — | US | disclosed |