⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11544417 | 1.00 | — | — | |
| SCHEMBL3015139 | 0.88 | PSMB1 (0.36) | — | |
| SCHEMBL11551214 | 0.81 | — | — | |
| SCHEMBL11544521 | 0.81 | — | — | |
| SCHEMBL3401832 | 0.80 | MAPT (0.30) | — | |
| SCHEMBL18187875 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL25946831 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL22279575 | 0.77 | — | — | |
| SCHEMBL8403201 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL11548603 | 0.76 | MAPT (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4140708-A | Asymmetric synthesis of optically active prostaglandins | HOFFMANN-LA ROCHE INC. (US) | 1979-02-20 | — | — | US | disclosed |
| US-4137244-A | Asymmetric synthesis of optically active prostaglandins | HOFFMANN-LA ROCHE INC. (US) | 1979-01-30 | — | — | US | disclosed |
| US-4133818-A | Process for producing lactones | HOFFMANN-LA ROCHE INC. (US) | 1979-01-09 | — | — | US | disclosed |
| US-4127736-A | 2-Hydroxyethyl-3-cyclopenten-1-ols and derivatives thereof | HOFFMANN-LA ROCHE INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4115452-A | 4,5, Substituted cyclopentane-1,3-diols | HOFFMANN-LA ROCHE INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-3933892-A | Asymmetric synthesis of optically active prostaglandins | HOFFMANN-LA ROCHE INC. (US) | 1976-01-20 | — | — | US | disclosed |