⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8000444 | 0.97 | TSHR (0.71) | — | |
| SCHEMBL10126530 | 0.97 | — | — | |
| SCHEMBL10092348 | 0.97 | TSHR (0.71) | — | |
| SCHEMBL13994161 | 0.97 | TSHR (0.71) | — | |
| SCHEMBL14141216 | 0.97 | TSHR (0.71) | — | |
| SCHEMBL12703522 | 0.90 | — | — | |
| Adipic Acid SCHEMBL8941691 | 0.83 | LMNA (1.00) | — | |
| Adipic Acid SCHEMBL1330953 | 0.83 | LMNA (1.00) | — | |
| Adipic Acid SCHEMBL25482 | 0.83 | LMNA (1.00) | — | |
| Adipic Acid SCHEMBL2244299 | 0.83 | LMNA (1.00) | — |
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-20110112312-A1 | PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN | ALPHORA RESEARCH INC. (CA) | 2011-05-12 | — | — | US | disclosed |
| EP-1771732-B1 | TAXOL IMMUNOASSAY | SALADAX BIOMEDICAL INC (US) | 2010-07-14 | — | — | EP | disclosed |