⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8121568 | 0.90 | LMNA (0.34) | — | |
| SCHEMBL8120652 | 0.78 | MAPT (0.46) | — | |
| SCHEMBL8118203 | 0.78 | HAO1 (0.37) | — | |
| SCHEMBL8309762 | 0.76 | SYK (0.35) | — | |
| SCHEMBL8120033 | 0.76 | TP53 (0.40) | — | |
| SCHEMBL6281931 | 0.76 | MAPK1 (0.34) | — | |
| SCHEMBL8125826 | 0.76 | SOS1 (0.34) | — | |
| SCHEMBL8127225 | 0.76 | NUDT1 (0.38) | — | |
| SCHEMBL8120409 | 0.76 | NTRK1 (0.38) | — | |
| SCHEMBL6280149 | 0.75 | POLB (0.30) | — |
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-6121202-A | 2-((THIENYL OR FURYL) (OXY OR THIO))-PYRIDINE AND 6-((THIENYL OR FURYL) (OXY OR THIO))-PYRIMIDINE COMPOUNDS | AMERICAN CYANAMID COMPANY (US) | 2000-09-19 | — | — | US | disclosed |