⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6860640 | 0.79 | — | — | |
| SCHEMBL6140848 | 0.75 | — | — | |
| SCHEMBL16768479 | 0.73 | LMNA (0.40) | — | |
| SCHEMBL5156371 | 0.73 | — | — | |
| SCHEMBL945319 | 0.70 | — | — | |
| SCHEMBL22994929 | 0.69 | — | — | |
| SCHEMBL1446776 | 0.69 | — | — | |
| SCHEMBL6141016 | 0.69 | — | — | |
| SCHEMBL16768483 | 0.69 | SLC1A3 (0.34) | — | |
| SCHEMBL28467247 | 0.69 | — | — |
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-4171244-A | Enzyme-bound-polyidothyronine | SYVA COMPANY (US) | 1979-10-16 | — | — | US | disclosed |
| US-4043872-A | MALATE DEHYDROGENASE, TRIOSE PHOSPHATE ISOMERASE | SYVA COMPANY (US) | 1977-08-23 | — | — | US | disclosed |