⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7950030 | 0.84 | LPAR1 (0.31) | — | |
| SCHEMBL7946107 | 0.78 | — | — | |
| SCHEMBL7947221 | 0.76 | — | — | |
| SCHEMBL7949944 | 0.75 | PTGDR2 (0.30) | — | |
| SCHEMBL7946158 | 0.73 | — | — | |
| SCHEMBL7947223 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL7950002 | 0.73 | USP2 (0.31) | — | |
| SCHEMBL7950039 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL7947211 | 0.67 | — | — | |
| SCHEMBL7944963 | 0.65 | — | — |
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 |