⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8676488 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL14113502 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL9509408 | 0.75 | GAA (0.31) | — | |
| SCHEMBL20962100 | 0.68 | — | — | |
| SCHEMBL11865670 | 0.63 | — | — | |
| SCHEMBL13103690 | 0.62 | — | — | |
| SCHEMBL15493405 | 0.58 | KDM4E (0.30) | — | |
| SCHEMBL3126399 | 0.58 | — | — | |
| SCHEMBL15960830 | 0.57 | POLB (0.33) | — | |
| SCHEMBL13176142 | 0.57 | GABRP (0.34) | — |
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-5416224-A | Reaction of acetyldihydro-2-(3H)-furanone with aldehyde and alkali metal hydroxide | HENKEL CORPORATION (US) | 1995-05-16 | — | — | US | disclosed |
| EP-0559789-A1 | PROCESS FOR THE PREPARATION OF $g(a)-ALKYL LACTONES | HENKEL CORPORATION (US) | 1993-09-15 | — | — | EP | disclosed |
| US-5231192-A | Reacting an a-acyl lactone, an aldehyde and an alkali metal hydroxide; hydrogenation | HENKEL CORPORATION (US) | 1993-07-27 | — | — | US | disclosed |
| WO-1992010487-A1 | PROCESS FOR CONVERTING α-ACYL-SUBSTITUTED LACTONES TO α-ALKYLIDENE-SUBSTITUTED LACTONES | HENKEL CORPORATION (US) | 1992-06-25 | — | — | WO | disclosed |
| WO-1992009590-A1 | PROCESS FOR THE PREPARATION OF α-ALKYL LACTONES | HENKEL CORPORATION (US) | 1992-06-11 | — | — | WO | disclosed |
| US-4980342-A | Process for the preparation of α-alkyl lactones | HENKEL CORPORATION (US) | 1990-12-25 | — | — | US | disclosed |