⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6650663 | 0.66 | HTR6 (0.33) | — | |
| SCHEMBL27750502 | 0.66 | HTR6 (0.33) | — | |
| SCHEMBL1080492 | 0.65 | SIGMAR1 (0.33) | — | |
| SCHEMBL27460809 | 0.65 | HTR2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL7204700 | 0.64 | — | — | |
| SCHEMBL28978247 | 0.64 | SIGMAR1 (0.32) | — | |
| SCHEMBL29386036 | 0.63 | HTR2A (0.39) | — | |
| SCHEMBL19630560 | 0.63 | HTR2A (0.39) | — | |
| SCHEMBL1028466 | 0.63 | HTR2A (0.39) | — | |
| SCHEMBL27588104 | 0.63 | HTR6 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749985-B1 | Stereo rigid metallocene compounds | TICONA GMBH (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6063949-A | Stereorigid metallocene compound | TARGOR GMBH (DE) | 2000-05-16 | — | — | US | disclosed |
| CN-1143646-A | Space rigid metal cyclopentadiene compound | HOECHST AG (DE) | 1997-02-26 | — | — | CN | disclosed |
| EP-0749985-A2 | Stereo rigid metallocene compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-12-27 | — | — | EP | disclosed |