⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9503269 | 0.74 | NPBWR1 (0.35) | — | |
| SCHEMBL9501824 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL9502417 | 0.68 | MEN1 (0.41) | — | |
| SCHEMBL10501460 | 0.65 | — | — | |
| SCHEMBL9806715 | 0.62 | PTGS2 (0.36) | — | |
| SCHEMBL9806752 | 0.61 | PTGS2 (0.36) | — | |
| SCHEMBL9806729 | 0.60 | NPBWR1 (0.33) | — | |
| SCHEMBL9453084 | 0.59 | DAO (0.41) | — | |
| SCHEMBL9806750 | 0.56 | NPBWR1 (0.35) | — | |
| SCHEMBL27462261 | 0.55 | POLB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5188832-A | Triazine-dione compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-02-23 | — | — | US | disclosed |
| US-4782056-A | COCCIDIOSTATICS | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-11-01 | — | — | US | disclosed |