⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6416747 | 0.81 | — | — | |
| SCHEMBL31681398 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL16781400 | 0.79 | RORC (0.31) | — | |
| SCHEMBL1607266 | 0.77 | — | — | |
| SCHEMBL2112263 | 0.70 | — | — | |
| SCHEMBL6434000 | 0.69 | CES2 (0.32) | — | |
| SCHEMBL1149117 | 0.67 | — | — | |
| SCHEMBL1149114 | 0.67 | — | — | |
| SCHEMBL8466575 | 0.67 | — | — | |
| SCHEMBL9137243 | 0.65 | THRB (0.39) | — |
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-6005137-A | POLYMERS USED IN OPTICAL DEVICES INCLUDING OPTICAL WAVEGUIDES AND INTERCONNECTING DEVICES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 1999-12-21 | — | — | US | disclosed |