⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL814512 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL8380283 | 0.94 | — | — | |
| SCHEMBL8762795 | 0.84 | CYP2D6 (0.31) | — | |
| SCHEMBL8762792 | 0.84 | CYP2D6 (0.31) | — | |
| SCHEMBL8672294 | 0.81 | — | — | |
| SCHEMBL7677812 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7932444 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8379126 | 0.80 | — | — | |
| SCHEMBL16239559 | 0.80 | — | — | |
| SCHEMBL16239593 | 0.80 | SIGMAR1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946610-B1 | HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS | EXXONMOBIL CHEM PATENTS INC (US) | 2001-11-28 | — | — | EP | disclosed |
| US-6180736-B1 | USING SUPPORT AND A COMPLEX FORMED BY ACTIVATING A GROUP 3, 4, 5, OR 6 METALLOCENE COMPRISING UNSUBSTITUTED (TETRAHYDRO) INDENYL LIGAND AND UNSUBSTITUTED CYCLOPENTADIENYL LIGAND; ETHYLENE POLYMERS WITH NARROW MOLECULAR WEIGHT DISTRIBUTION | EXXON CHEMICAL PATENTS INC | 2001-01-30 | — | — | US | disclosed |