⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5552506 | 0.77 | — | — | |
| SCHEMBL8891434 | 0.76 | — | — | |
| SCHEMBL8594693 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL8595891 | 0.70 | — | — | |
| SCHEMBL10346113 | 0.70 | — | — | |
| SCHEMBL10346112 | 0.70 | — | — | |
| SCHEMBL5528524 | 0.66 | — | — | |
| SCHEMBL28335459 | 0.65 | CA1 (0.34) | — | |
| SCHEMBL27975816 | 0.65 | MEN1 (0.37) | — | |
| SCHEMBL17865466 | 0.65 | TSHR (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0817764-A1 | PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996031476-A1 | AROMATIC HYDROXYETHERS | RHONE-POULENC RORER LIMITED (GB) | 1996-10-10 | — | — | WO | disclosed |
| WO-1996030320-A1 | PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1996-10-03 | — | — | WO | disclosed |