⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21941965 | 0.80 | — | — | |
| SCHEMBL18946193 | 0.78 | — | — | |
| SCHEMBL13168978 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL26525830 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL1780373 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL21941800 | 0.75 | — | — | |
| SCHEMBL21297282 | 0.74 | — | — | |
| SCHEMBL2468977 | 0.72 | — | — | |
| SCHEMBL29886683 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL439901 | 0.71 | TSHR (0.36) | — |
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-10392473-B2 | Monomer composition and curable composition containing same | DAICEL CORPORATION (JP) | 2019-08-27 | — | — | US | disclosed |