⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2019340 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL562764 | 0.77 | — | — | |
| SCHEMBL3630568 | 0.74 | — | — | |
| Water SCHEMBL6078515 | 0.74 | — | — | |
| SCHEMBL27509208 | 0.74 | — | — | |
| SCHEMBL6838931 | 0.71 | — | — | |
| SCHEMBL11801792 | 0.70 | ALOX15 (0.34) | — | |
| SCHEMBL10553508 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL9335555 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL10554896 | 0.69 | ALDH1A1 (0.53) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0332008-A2 | Peptide-like aminoacid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-09-13 | — | — | EP | claimed |
| US-6908719-B1 | Photosensitive compound and photosensitive composition | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2005-06-21 | — | — | US | disclosed |
| EP-0357009-B1 | Method of resolution of hydroxy-cyclopentenones using a lipase and transacylation agents | SEARLE & CO (US) | 1994-03-02 | — | — | EP | disclosed |
| US-5106750-A | Enzymatic resolution of hydroxycyclopentenones using lipase | G. D. SEARLE & CO. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0357009-A2 | Method of resolution of hydroxy-cyclopentenones using a lipase and transacylation agents | G.D. Searle & Co. (US) | 1990-03-07 | — | — | EP | disclosed |
| EP-0332008-A2 | Peptide-like aminoacid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-09-13 | — | — | EP | disclosed |