⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5134911 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL31085615 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL28047980 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL2672371 | 0.77 | — | — | |
| SCHEMBL11710041 | 0.73 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL28645775 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL16398957 | 0.69 | TSHR (0.52) | — | |
| SCHEMBL8601512 | 0.69 | TSHR (0.56) | — | |
| SCHEMBL9308721 | 0.68 | — | — | |
| SCHEMBL9819422 | 0.68 | SMN1; SMN2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2008222881-A | EPOXY-SILICONE MIXED RESIN COMPOSITION AND LIGHT-EMITTING SEMICONDUCTOR DEVICE | SHIN ETSU CHEM CO LTD | 2008-09-25 | — | — | JP | disclosed |