⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8357760 | 0.85 | ENPP3 (0.32) | — | |
| SCHEMBL8458449 | 0.84 | — | — | |
| SCHEMBL8355722 | 0.83 | MAPT (0.34) | — | |
| SCHEMBL27551981 | 0.82 | NPC1 (0.33) | — | |
| SCHEMBL8357284 | 0.82 | ALOX15 (0.30) | — | |
| SCHEMBL8361870 | 0.82 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL8457975 | 0.81 | — | — | |
| SCHEMBL8361857 | 0.80 | ALOX15 (0.31) | — | |
| SCHEMBL8458837 | 0.80 | — | — | |
| SCHEMBL5890266 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |