⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27909591 | 0.82 | — | — | |
| SCHEMBL14359833 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL5617853 | 0.78 | — | — | |
| SCHEMBL14359900 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL4451315 | 0.77 | AKR1B1 (0.32) | — | |
| SCHEMBL1566961 | 0.76 | ADH1B (0.31) | — | |
| SCHEMBL240166 | 0.76 | — | — | |
| SCHEMBL9581435 | 0.76 | — | — | |
| SCHEMBL16864907 | 0.76 | ADH1B (0.31) | — | |
| SCHEMBL24089884 | 0.73 | ALDH1A1 (0.39) | — |
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-2313386-B1 | SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES | DSM IP ASSETS BV (NL) | 2012-01-04 | — | — | EP | disclosed |