⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21391990 | 0.79 | GAA (0.33) | — | |
| SCHEMBL21381452 | 0.75 | CTPS1 (0.44) | — | |
| SCHEMBL21392186 | 0.70 | CTPS1 (0.33) | — | |
| SCHEMBL21392034 | 0.70 | ABL1 (0.31) | — | |
| SCHEMBL21392086 | 0.69 | — | — | |
| SCHEMBL21392099 | 0.64 | CTPS1 (0.30) | — | |
| SCHEMBL1579389 | 0.59 | HSP90AA1 (0.38) | — | |
| SCHEMBL20487063 | 0.57 | KCNH2 (0.44) | — | |
| SCHEMBL522830 | 0.55 | IRAK4 (0.40) | — | |
| SCHEMBL31748280 | 0.54 | CYP1A2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019180244-A1 | AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS | STEP PHARMA S.A.S. (FR) | 2019-09-26 | — | — | WO | disclosed |
| WO-2019179652-A1 | AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS | STEP PHARMA S.A.S. (FR) | 2019-09-26 | — | — | WO | disclosed |