⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25166346 | 0.84 | — | — | |
| SCHEMBL25166127 | 0.73 | ADRA2A (0.33) | — | |
| SCHEMBL31108011 | 0.73 | ADRA2A (0.33) | — | |
| SCHEMBL25166172 | 0.70 | MAPT (0.36) | — | |
| SCHEMBL22143867 | 0.69 | PGR (0.33) | — | |
| SCHEMBL24593733 | 0.69 | PGR (0.33) | — | |
| SCHEMBL25166010 | 0.69 | PARP1 (0.42) | — | |
| SCHEMBL25166593 | 0.67 | PARP1 (0.34) | — | |
| SCHEMBL29991822 | 0.67 | NOS3 (0.34) | — | |
| SCHEMBL25166481 | 0.64 | MEN1 (0.36) | — |
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-2023064586-A1 | NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF | TANGO THERAPEUTICS, INC. (US) | 2023-04-20 | — | — | WO | disclosed |