⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14445000 | 0.80 | — | — | |
| SCHEMBL1021705 | 0.76 | — | — | |
| SCHEMBL3387307 | 0.71 | ALOX5 (0.36) | — | |
| SCHEMBL6515479 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL1021982 | 0.71 | ACHE (0.40) | — | |
| SCHEMBL1020674 | 0.70 | — | — | |
| SCHEMBL4867436 | 0.70 | ACHE (0.43) | — | |
| SCHEMBL889475 | 0.65 | — | — | |
| SCHEMBL1020575 | 0.65 | TLR4 (0.34) | — | |
| SCHEMBL3936524 | 0.64 | MAPT (0.38) | — |
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-4007216-A | FLAVORS | EL PASO PRODUCTS COMPANY (US) | 1977-02-08 | — | — | US | disclosed |