⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7026937 | 0.82 | CYP19A1 (0.30) | — | |
| SCHEMBL2161241 | 0.82 | — | — | |
| SCHEMBL5387034 | 0.81 | — | — | |
| SCHEMBL5401303 | 0.78 | — | — | |
| SCHEMBL5389789 | 0.78 | — | — | |
| Chloromethane SCHEMBL5603130 | 0.77 | — | — | |
| SCHEMBL566019 | 0.76 | GPR3 (0.34) | — | |
| Chloromethane SCHEMBL5600485 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4639609 | 0.74 | GPR3 (0.33) | — | |
| SCHEMBL5379867 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0798306-B1 | Substituted indenyl unbridged metallocenes | PHILLIPS PETROLEUM CO (US) | 2002-05-22 | — | — | EP | claimed |