⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18005522 | 0.92 | MEN1 (0.32) | — | |
| SCHEMBL18005212 | 0.91 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL19900340 | 0.90 | CHRM1 (0.30) | — | |
| SCHEMBL18005537 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL19900683 | 0.77 | CHRM1 (0.30) | — | |
| SCHEMBL18005617 | 0.77 | CHRM1 (0.30) | — | |
| SCHEMBL21202588 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL24330463 | 0.76 | KCNQ3 (0.30) | — | |
| SCHEMBL19900152 | 0.75 | NAAA (0.33) | — | |
| SCHEMBL18005415 | 0.75 | KCNQ3 (0.38) | — |
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-2016133959-A9 | THERAPEUTIC COMPOUNDS | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2018-02-22 | — | — | WO | disclosed |