⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2220597 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL3844653 | 0.74 | — | — | |
| SCHEMBL1851907 | 0.72 | — | — | |
| SCHEMBL27021151 | 0.68 | — | — | |
| SCHEMBL2270325 | 0.67 | PAX8 (0.31) | — | |
| SCHEMBL8401305 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL11966124 | 0.66 | PAX8 (0.32) | — | |
| SCHEMBL26629794 | 0.66 | PAX8 (0.32) | — | |
| SCHEMBL9284822 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL2271496 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1871781-B1 | VOLATILE NICKEL AMINOALKOXIDE COMPLEX AND DEPOSITION OF NICKEL THIN FILM USING SAME | KOREA RES INST CHEM TECH (KR) | 2012-10-31 | — | — | EP | disclosed |