⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3149309 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL37160 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL954310 | 0.79 | THRB (0.32) | — | |
| SCHEMBL20602960 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL5970115 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL6545386 | 0.78 | — | — | |
| SCHEMBL9938501 | 0.76 | — | — | |
| SCHEMBL8849717 | 0.76 | — | — | |
| SCHEMBL17360815 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL22042690 | 0.75 | — | — |
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-6248811-B1 | COATING SURFACE WITH POLYMER | HUELS AKTIENGESELLSCHAFT (DE) | 2001-06-19 | — | — | US | disclosed |
| EP-0860213-A2 | Bioactive coating on surfaces | HÜLS AKTIENGESELLSCHAFT (DE) | 1998-08-26 | — | — | EP | disclosed |