⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16848462 | 0.76 | — | — | |
| SCHEMBL16848456 | 0.73 | — | — | |
| SCHEMBL17680445 | 0.72 | — | — | |
| SCHEMBL16848474 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL16848476 | 0.69 | — | — | |
| SCHEMBL16848489 | 0.68 | — | — | |
| SCHEMBL19880283 | 0.64 | — | — | |
| SCHEMBL8674498 | 0.60 | TSHR (0.44) | — | |
| SCHEMBL25019760 | 0.60 | — | — | |
| SCHEMBL16550173 | 0.59 | ALDH1A1 (0.37) | — |
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-20150175642-A1 | METAL ALKOXIDE COMPOUND, THIN-FILM-FORMING MATERIAL, METHOD FOR PRODUCING THIN FILM, AND ALCOHOL COMPOUND | ADEKA CORPORATION (JP) | 2015-06-25 | — | — | US | disclosed |