⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21392182 | 0.89 | CTPS1 (0.33) | — | |
| SCHEMBL21387613 | 0.77 | CTPS1 (0.44) | — | |
| SCHEMBL21392163 | 0.76 | CTSK (0.30) | — | |
| SCHEMBL21392071 | 0.70 | CTPS1 (0.31) | — | |
| SCHEMBL21387600 | 0.68 | CTPS1 (0.31) | — | |
| SCHEMBL21387698 | 0.68 | HTR3A (0.32) | — | |
| SCHEMBL21387657 | 0.66 | CTPS1 (0.34) | — | |
| SCHEMBL21392118 | 0.65 | CTSK (0.59) | — | |
| SCHEMBL21392115 | 0.64 | — | — | |
| SCHEMBL21387693 | 0.64 | SYK (0.43) | — |
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-2019180244-A1 | AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS | STEP PHARMA S.A.S. (FR) | 2019-09-26 | — | — | WO | disclosed |