⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5440477 | 0.87 | CA2 (0.38) | — | |
| SCHEMBL6098342 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL211528 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL10411212 | 0.72 | — | — | |
| SCHEMBL558187 | 0.70 | BCAT2 (0.32) | — | |
| SCHEMBL558291 | 0.69 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL124933 | 0.69 | PDPK1 (0.44) | — | |
| SCHEMBL558555 | 0.69 | PSMB8 (0.44) | — | |
| SCHEMBL1696135 | 0.69 | PSMD14 (0.36) | — | |
| SCHEMBL557619 | 0.69 | MAPT (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | disclosed |