⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7946114 | 0.85 | — | — | |
| SCHEMBL7946135 | 0.80 | — | — | |
| SCHEMBL7948076 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL9885324 | 0.65 | KMT2A (0.47) | — | |
| SCHEMBL15349624 | 0.60 | USP2 (0.47) | — | |
| SCHEMBL7947221 | 0.60 | — | — | |
| SCHEMBL3668976 | 0.60 | ALDH1A1 (0.41) | — | |
| SCHEMBL1038127 | 0.60 | ACHE (0.58) | — | |
| SCHEMBL4534465 | 0.58 | ALDH1A1 (0.40) | — | |
| SCHEMBL18164585 | 0.58 | PDE2A (0.39) | — |
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-6262286-B1 | REACTING AROMATIC TRANSITION METAL COMPLEXES WITH ALKALI OR ALKALI METAL CYCLOPENTADIENYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-17 | — | — | US | disclosed |