⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5601780 | 0.97 | TACR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5600744 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5602842 | 0.90 | — | — | |
| Fluoride Ion SCHEMBL5602465 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL5602497 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL5603458 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL5601988 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL5603005 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL5603251 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL5602591 | 0.81 | — | — |
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-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |