⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7933047 | 0.89 | — | — | |
| SCHEMBL6914199 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL7935675 | 0.85 | USP30 (0.30) | — | |
| SCHEMBL7926735 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL8604969 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL818878 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL5853881 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL7212494 | 0.78 | HTR1A (0.32) | — | |
| SCHEMBL7933102 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL7935722 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6184402-B1 | RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES | CHISSO CORPORATION (JP) | 2001-02-06 | — | — | US | disclosed |