⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7764353 | 0.69 | TDP1 (0.35) | — | |
| SCHEMBL7629299 | 0.57 | APP (0.35) | — | |
| SCHEMBL25274620 | 0.54 | CYP2A6 (0.43) | — | |
| SCHEMBL121970 | 0.54 | RAB9A (0.50) | — | |
| SCHEMBL29959678 | 0.54 | RAB9A (0.50) | — | |
| SCHEMBL3205273 | 0.54 | ALDH1A1 (0.48) | — | |
| SCHEMBL10038833 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL292238 | 0.54 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9513928 | 0.52 | HDAC4 (0.49) | — | |
| SCHEMBL151034 | 0.52 | GABRA1 (0.43) | — |
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-1097161-A1 | TETHERED MONOCYCLOPENTADIENYL POLYMERIZATION CATALYSTS | EXXON CHEMICAL PATENTS INC. (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002891-A1 | TETHERED MONOCYCLOPENTADIENYL POLYMERIZATION CATALYSTS | EXXON CHEMICAL PATENTS INC. (US) | 2000-01-20 | — | — | WO | disclosed |