⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9472772 | 0.81 | CYP1A2 (0.42) | — | |
| SCHEMBL9472780 | 0.81 | CYP1A2 (0.42) | — | |
| SCHEMBL12744027 | 0.78 | CHRM2 (0.37) | — | |
| SCHEMBL14748898 | 0.74 | — | — | |
| SCHEMBL5689157 | 0.74 | — | — | |
| SCHEMBL562547 | 0.74 | — | — | |
| SCHEMBL11197162 | 0.73 | — | — | |
| SCHEMBL26383053 | 0.72 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL26383054 | 0.72 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL9300447 | 0.72 | SMN1; SMN2 (0.48) | — |
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-RE37076-E1 | ELECTROCHEMICAL CELLS DEMONSTRATING SUPERIOR PERFORMANCE CAN BE FABRICATED BY EMPLOYING ANODES COMPRISING GRAPHITE OF EXTRA HIGH CRYSTALLINITY AND PURITY | VALENCE TECHNOLOGY, INC. | 2001-02-27 | — | — | US | disclosed |