⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18558822 | 0.42 | — | — | |
| SCHEMBL12056879 | 0.39 | — | — | |
| Hydrazine SCHEMBL23924898 | 0.33 | — | — | |
| SCHEMBL20607 | 0.29 | — | — | |
| SCHEMBL665551 | 0.29 | — | — | |
| SCHEMBL2541178 | 0.27 | — | — | |
| SCHEMBL57934 | 0.27 | — | — | |
| SCHEMBL844578 | 0.27 | — | — | |
| Fluoride Ion SCHEMBL7510909 | 0.27 | — | — | |
| SCHEMBL9179606 | 0.27 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090252674-A1 | Tripodal Ligands with the Coordinating Motifs K2 -BH2 or K3 -BH3 Relevant for Biomedical Applications of Organometallic Complexes | MALLINCKRODT INC. (US) | 2009-10-08 | — | — | US | disclosed |