⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23485298 | 0.76 | CDC7 (0.41) | — | |
| SCHEMBL23485456 | 0.76 | HTR2A (0.33) | — | |
| SCHEMBL23460043 | 0.75 | — | — | |
| SCHEMBL23485679 | 0.75 | — | — | |
| SCHEMBL23460233 | 0.72 | — | — | |
| SCHEMBL23485691 | 0.70 | CHEK1 (0.33) | — | |
| SCHEMBL23459519 | 0.69 | — | — | |
| SCHEMBL23485396 | 0.69 | KMT2A (0.31) | — | |
| SCHEMBL23485331 | 0.68 | — | — | |
| SCHEMBL23460203 | 0.63 | ALDH1A1 (0.30) | — |
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-2021113492-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2021-06-10 | — | — | WO | disclosed |