⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8357831 | 0.91 | CYP3A4 (0.33) | — | |
| SCHEMBL272945 | 0.88 | — | — | |
| SCHEMBL7928212 | 0.81 | — | — | |
| SCHEMBL6445653 | 0.81 | SLC22A2 (0.30) | — | |
| SCHEMBL6445717 | 0.79 | — | — | |
| SCHEMBL7927069 | 0.79 | CYP3A4 (0.32) | — | |
| SCHEMBL7930482 | 0.79 | HTR5A (0.30) | — | |
| SCHEMBL3739317 | 0.79 | HTR5A (0.30) | — | |
| SCHEMBL5278351 | 0.78 | — | — | |
| SCHEMBL4272719 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5912373-A | Process for converting the achiral meso form of an ansa-metallocene complex into the chiral racemic form | BASF AKTIENGESELLSCHAFT (DE) | 1999-06-15 | — | — | US | disclosed |
| US-5892081-A | REACTING TIN METALLOCENE WITH TRANSITION METAL HALIDE OR ALKOXIDE | BASF AKTIENGESELLSCHAFT (DE) | 1999-04-06 | — | — | US | disclosed |
| US-5840950-A | Process for converting the achiral meso form or the racemate of an ansa-metallocene complex or mixtures thereof into one of its enantiomers | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-24 | — | — | US | disclosed |
| CN-1190399-A | Process for converting achiral meso form or racemate of ansa-metallocene complex or mixtures thereof into one of its enantiomers | BASF AG (DE) | 1998-08-12 | — | — | CN | disclosed |