⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12162800 | 0.92 | — | — | |
| SCHEMBL19186582 | 0.86 | — | — | |
| SCHEMBL13648307 | 0.83 | TAS1R3 (0.31) | — | |
| SCHEMBL20411805 | 0.83 | TAS1R3 (0.31) | — | |
| SCHEMBL14823244 | 0.82 | TAS1R3 (0.33) | — | |
| SCHEMBL25454213 | 0.80 | — | — | |
| SCHEMBL24117672 | 0.80 | — | — | |
| SCHEMBL16307965 | 0.80 | TAS1R3 (0.32) | — | |
| SCHEMBL20034065 | 0.79 | TAS1R3 (0.30) | — | |
| SCHEMBL20034064 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230357632-A1 | IONIC LIQUID PEROVSKITE DEVICES | CUBICPV INC. | 2023-11-09 | — | — | US | disclosed |
| US-10974235-B2 | Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation | TRUSTEES OF PRINCETON UNIVERSITY (US) | 2021-04-13 | — | — | US | disclosed |