⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27974988 | 0.82 | — | — | |
| SCHEMBL33337 | 0.82 | — | — | |
| SCHEMBL27931097 | 0.82 | — | — | |
| SCHEMBL665992 | 0.82 | — | — | |
| SCHEMBL29038003 | 0.82 | — | — | |
| SCHEMBL23346280 | 0.82 | — | — | |
| SCHEMBL1471486 | 0.67 | — | — | |
| SCHEMBL3122200 | 0.67 | — | — | |
| SCHEMBL21847494 | 0.67 | — | — | |
| SCHEMBL10953831 | 0.67 | — | — |
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-20050121066-A1 | Figure of merit in Ytterbium-Aluminum-manganese intermetallic thermoelectric and method of preparation | DUPONT POLYMERS, INC. | 2005-06-09 | — | — | US | disclosed |