⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27513464 | 0.86 | — | — | |
| SCHEMBL7060717 | 0.85 | — | — | |
| SCHEMBL27206851 | 0.83 | — | — | |
| SCHEMBL27920656 | 0.83 | — | — | |
| SCHEMBL27679602 | 0.83 | — | — | |
| SCHEMBL29059809 | 0.82 | — | — | |
| SCHEMBL28842895 | 0.82 | — | — | |
| Boric Acid SCHEMBL28949539 | 0.81 | — | — | |
| SCHEMBL28738337 | 0.80 | — | — | |
| SCHEMBL513049 | 0.80 | — | — |
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-1999043317-A1 | NECROSIS-AFFINE COMPOUNDS AND THE UTILIZATION THEREOF IN ORDER TO PRODUCE PREPARATIONS FOR PHARMACOTHERAPY | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-09-02 | — | — | WO | disclosed |