⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7696567 | 0.75 | KDM1A (0.32) | — | |
| SCHEMBL577658 | 0.69 | KDM1A (0.39) | — | |
| SCHEMBL7118363 | 0.67 | ADRA1A (0.43) | — | |
| SCHEMBL775690 | 0.65 | KDM1A (0.35) | — | |
| SCHEMBL3248949 | 0.65 | KDM1A (0.35) | — | |
| SCHEMBL30014324 | 0.65 | GRIN2D (0.31) | — | |
| SCHEMBL3848189 | 0.65 | GRIN2D (0.31) | — | |
| SCHEMBL2120588 | 0.64 | HTR1A (0.44) | — | |
| SCHEMBL6561593 | 0.64 | KDM1A (0.34) | — | |
| SCHEMBL5845510 | 0.62 | TLR4 (0.35) | — |
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-0818458-B1 | TRANSITION METAL COMPOUND, POLYMERIZATION CATALYST FOR OLEFINS, AND PROCESS FOR PRODUCING OLEFINIC POLYMERS | IDEMITSU KOSAN CO (JP) | 2004-02-25 | — | — | EP | disclosed |