⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23312262 | 0.75 | GPR3 (0.36) | — | |
| SCHEMBL23515511 | 0.72 | CNR2 (0.37) | — | |
| SCHEMBL13520203 | 0.68 | ALOX5 (0.51) | — | |
| SCHEMBL23775993 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL2384224 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL12263320 | 0.66 | PTPN1 (0.40) | — | |
| SCHEMBL12568825 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL18174883 | 0.63 | GPR3 (0.37) | — | |
| SCHEMBL12467458 | 0.63 | TSHR (0.39) | — | |
| SCHEMBL24829551 | 0.62 | PLAU (0.31) | — |
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-20210184145-A1 | VISIBLY TRANSPARENT PHOTOACTIVE COMPOUNDS FOR NEAR-INFRARED-ABSORBING PHOTOVOLTAIC DEVICES | UBIQUITOUS ENERGY, INC. (US) | 2021-06-17 | — | — | US | disclosed |