⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5597349 | 0.69 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3672122 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL7549569 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3681018 | 0.64 | — | — | |
| Dimethylamine SCHEMBL7206315 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3670081 | 0.60 | OXTR (0.32) | — | |
| Fluoride SCHEMBL1130605 | 0.60 | OXTR (0.32) | — | |
| SCHEMBL7542809 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL7549578 | 0.59 | — | — | |
| SCHEMBL7542932 | 0.57 | — | — |
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-1257587-B1 | HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-06-23 | — | — | EP | claimed |
| EP-1257587-B1 | HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-06-23 | — | — | EP | disclosed |