⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11747999 | 0.81 | PTGES (0.43) | — | |
| SCHEMBL11741002 | 0.80 | SLC29A1 (0.35) | — | |
| SCHEMBL11745513 | 0.80 | CA12 (0.33) | — | |
| SCHEMBL11749947 | 0.77 | NUDT1 (0.35) | — | |
| SCHEMBL11746332 | 0.77 | — | — | |
| SCHEMBL11747846 | 0.77 | SLC29A1 (0.32) | — | |
| SCHEMBL11744957 | 0.75 | RAD51 (0.30) | — | |
| SCHEMBL11748724 | 0.75 | RAD51 (0.30) | — | |
| SCHEMBL11748846 | 0.74 | POLB (0.30) | — | |
| SCHEMBL11743524 | 0.74 | — | — |
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-4008232-A | ANTIINFLAMMATORY | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |
| US-3979516-A | Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines | ELI LILLY AND COMPANY (US) | 1976-09-07 | — | — | US | disclosed |
| US-3948894-A | ANTIINFLAMMATORY | ELI LILLY AND COMPANY (US) | 1976-04-06 | — | — | US | disclosed |