⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8676507 | 0.81 | — | — | |
| SCHEMBL817605 | 0.70 | — | — | |
| SCHEMBL8728915 | 0.70 | — | — | |
| SCHEMBL7516397 | 0.67 | — | — | |
| SCHEMBL2377684 | 0.65 | — | — | |
| SCHEMBL9187636 | 0.65 | — | — | |
| SCHEMBL9556688 | 0.64 | — | — | |
| SCHEMBL9556685 | 0.64 | — | — | |
| SCHEMBL9860345 | 0.64 | — | — | |
| SCHEMBL15853397 | 0.62 | NOS1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006003496-A2 | PREPARATION OF 4-SUBSTITUTED-2-BUTEN-4-OLIDES FROM MUCOHALIC ACIDS | WARNER-LAMBERT COMPANY LLC (US) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004211-A1 | Preparation of 4-substituted-2-buten-4-olides from mucohalic acids | WARNER-LAMBERT COMPANY LLC | 2006-01-05 | — | — | US | disclosed |
| EP-0676404-B1 | Oxotitanium complexes useful as asymmetric reaction catalysts particularly for producing beta-hydroxy ketones or alpha-hydroxy carboxylic acid esters | TAKASAGO PERFUMERY CO LTD (JP) | 2001-02-14 | — | — | EP | disclosed |
| US-6025503-A | REACTING OPTICALLY ACTIVE(OR RACEMIC) TITANIUM ALKOXIDE COMPLEXES WITH CHIRAL ACTIVATORS(ESPECIALLY DIOLS) YIELDS NEW TITANIUM COMPLEXES WHICH ARE ENANTIO-SELECTIVE IN C-C BOND FORMING REACTIONS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2000-02-15 | — | — | US | disclosed |