⚠ 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 SCHEMBL8169650 | 0.96 | — | — | |
| SCHEMBL18092495 | 0.78 | — | — | |
| SCHEMBL8156728 | 0.77 | — | — | |
| SCHEMBL18092508 | 0.77 | — | — | |
| SCHEMBL15417819 | 0.75 | — | — | |
| SCHEMBL7054648 | 0.75 | — | — | |
| SCHEMBL3688468 | 0.75 | — | — | |
| SCHEMBL2354882 | 0.71 | — | — | |
| SCHEMBL7054141 | 0.71 | — | — | |
| SCHEMBL7718279 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6072067-A | Cyclopentadiene compound substituted with a hetero atom-containing group | DSM N.V. (NL) | 2000-06-06 | — | — | US | disclosed |
| US-5986029-A | POLYMERIZATION CATALYSTS FOR OLEFINS USING TRANSITION METAL COMPLEXES AND COCATALYST | DSM N.V. (NL) | 1999-11-16 | — | — | US | disclosed |