⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7062746 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7602754 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8681777 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6066817 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6066951 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6448489 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6444808 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6067428 | 0.69 | HTR2A (0.32) | — | |
| SCHEMBL8681705 | 0.68 | SIGMAR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8156669 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530908-B2 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM NV (NL) | 2003-06-04 | — | — | EP | disclosed |
| EP-0530908-B1 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM NV (NL) | 1999-04-21 | — | — | EP | disclosed |
| EP-0530908-A1 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM N.V. (NL) | 1993-03-10 | — | — | EP | disclosed |