⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25724096 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL26075273 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL20243265 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL25761576 | 0.79 | KCNA5 (0.38) | — | |
| SCHEMBL7571504 | 0.79 | KCNA5 (0.38) | — | |
| SCHEMBL7571489 | 0.77 | FDPS (0.33) | — | |
| SCHEMBL16625900 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL20243279 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL105108 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL18526904 | 0.74 | — | — |
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-9994593-B2 | Copper compound, starting material for forming thin film, and method for manufacturing thin film | ADEKA CORPORATION (JP) | 2018-06-12 | — | — | US | disclosed |