⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8733761 | 0.84 | POLB (0.30) | — | |
| Hydrochloric Acid SCHEMBL8776363 | 0.73 | — | — | |
| SCHEMBL8857757 | 0.73 | POLB (0.31) | — | |
| SCHEMBL7625234 | 0.73 | SLC6A2 (0.31) | — | |
| SCHEMBL6437443 | 0.73 | SLC6A2 (0.31) | — | |
| SCHEMBL8853881 | 0.73 | SLC6A4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL5688623 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8776347 | 0.72 | — | — | |
| SCHEMBL8895357 | 0.72 | SLC6A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7913244 | 0.72 | SLC6A2 (0.31) | — |
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-5529966-A | BIS/CYCLOPENTADIENEYL BIS/AMINE DERIVATIVE OF GROUP 4 ELEMENT AS POLYMERIZATION CATALYST AND ALUMINOXANE AS COCATALYST | ENICHEM S.P.A. (IT) | 1996-06-25 | — | — | US | claimed |