⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10821637 | 1.00 | — | — | |
| SCHEMBL10821532 | 1.00 | — | — | |
| SCHEMBL5574453 | 0.71 | — | — | |
| SCHEMBL2911127 | 0.69 | — | — | |
| SCHEMBL872981 | 0.69 | METAP2 (0.33) | — | |
| SCHEMBL22386288 | 0.68 | — | — | |
| SCHEMBL24371592 | 0.66 | — | — | |
| SCHEMBL4591609 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL245061 | 0.65 | — | — | |
| SCHEMBL728797 | 0.65 | — | — |
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-2012176928-A1 | METHOD FOR PRODUCING AMINO ALCOHOL COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-12-27 | — | — | WO | disclosed |