⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL383731 | 0.91 | TSHR (0.32) | — | |
| SCHEMBL4818972 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL16588356 | 0.87 | — | — | |
| SCHEMBL10030503 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL566248 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL16504168 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL2621446 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL14136628 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL22743730 | 0.83 | NLRP3 (0.31) | — | |
| SCHEMBL17133199 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011106723-A2 | ANTI-PAF ANTIBODIES | LPATH, INC. (US) | 2011-09-01 | — | — | WO | disclosed |
| US-20110212088-A1 | ANTI-PAF ANTIBODIES | SABBADINI ROGER A | 2011-09-01 | — | — | US | disclosed |