⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL838732 | 0.83 | — | — | |
| SCHEMBL3302336 | 0.82 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL17675006 | 0.82 | — | — | |
| SCHEMBL4995291 | 0.82 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL17675003 | 0.82 | — | — | |
| SCHEMBL15369672 | 0.79 | CA1 (0.39) | — | |
| SCHEMBL16155274 | 0.74 | — | — | |
| SCHEMBL17675004 | 0.74 | — | — | |
| SCHEMBL8823316 | 0.74 | SRR (0.44) | — | |
| SCHEMBL30482456 | 0.74 | FAAH (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5248830-A | Enantioselective preparation of acetylenic or olefinic substituted cycloalkenyl dihydroxybutyrates and 4-hydroxy-tetrahydro-pyran-2-ones | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1993-09-28 | — | — | US | disclosed |
| WO-1992014692-A1 | ENANTIOSELECTIVE PREPARATION OF ACETYLENIC OR OLEFINIC SUBSTITUTED CYCLOALKENYL DIHYDROXYBUTYRATES AND 4-HYDROXY-TETRAHYDROPYRAN-2-ONES | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1992-09-03 | — | — | WO | disclosed |