⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17885410 | 0.83 | BCL2L1 (0.38) | — | |
| SCHEMBL26657463 | 0.76 | KIF11 (0.45) | — | |
| SCHEMBL26657487 | 0.76 | KIF11 (0.45) | — | |
| SCHEMBL25649758 | 0.71 | BCL2L1 (0.31) | — | |
| SCHEMBL14321616 | 0.66 | CES1 (0.50) | — | |
| SCHEMBL10600199 | 0.66 | CES1 (0.50) | — | |
| SCHEMBL10600198 | 0.66 | CES1 (0.50) | — | |
| SCHEMBL18393804 | 0.63 | — | — | |
| SCHEMBL17341730 | 0.63 | CES2 (0.47) | — | |
| SCHEMBL14213079 | 0.61 | BCL2L1 (0.58) | — |
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-20160185892-A1 | CROSSLINKING AGENT AND FLUORINE-CONTAINING AROMATIC COMPOUND | NICHIAS CORPORATION (JP) | 2016-06-30 | — | — | US | disclosed |