⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21420013 | 0.97 | — | — | |
| SCHEMBL21420021 | 0.97 | — | — | |
| SCHEMBL20118751 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL7690994 | 0.82 | — | — | |
| SCHEMBL11304430 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL16080837 | 0.75 | — | — | |
| SCHEMBL21420012 | 0.73 | — | — | |
| SCHEMBL12793957 | 0.71 | — | — | |
| SCHEMBL11976521 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6058120 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015015035-A1 | METHOD FOR THE SYNTHESIS OF COVALENT ORGANIC FRAMEWORKS | FUNDACIÓN IMDEA NANOCIENCIA (ES) | 2015-02-05 | — | — | WO | disclosed |