⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1763099 | 0.70 | — | — | |
| SCHEMBL7263974 | 0.70 | — | — | |
| SCHEMBL20961738 | 0.70 | — | — | |
| SCHEMBL2220875 | 0.67 | — | — | |
| SCHEMBL9641707 | 0.67 | — | — | |
| SCHEMBL14391278 | 0.67 | — | — | |
| SCHEMBL8588188 | 0.67 | — | — | |
| SCHEMBL12361939 | 0.67 | — | — | |
| SCHEMBL4914424 | 0.64 | — | — | |
| SCHEMBL16840355 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4187385-A | TITANIUM COMPONENT COPULVERIZED WITH ORGANOALUMINUM COMPOUND AND ETHYLENE OR A-OLEFINS, PARTICLE SIZE | MITSUI TOATSU CHEMICAL, INC. (JP) | 1980-02-05 | — | — | US | disclosed |
| US-4028481-A | ACTIVATED TITANIUM TRICHLORIDE AND AN ORGANOALUMINUM COMPOUND | MITSUI TOATSU CHEMICALS, INCORPORATED (JA) | 1977-06-07 | — | — | US | disclosed |