⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29517145 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6817473 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL4632864 | 0.61 | — | — | |
| Benzene SCHEMBL1632914 | 0.46 | TSHR (0.43) | — | |
| Benzene SCHEMBL28140598 | 0.41 | ALDH1A1 (0.50) | — | |
| Benzene SCHEMBL27719966 | 0.39 | ESR1 (0.30) | — | |
| Benzene SCHEMBL27636703 | 0.39 | — | — | |
| Benzene SCHEMBL9017660 | 0.36 | TSHR (0.60) | — | |
| Benzene SCHEMBL8473013 | 0.36 | — | — | |
| Benzene SCHEMBL5692708 | 0.36 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0919574-B1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES (JP) | 2004-02-11 | — | — | EP | disclosed |
| US-6300450-B1 | Conjugated diene compound polymerization catalyst process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES, LTD. (JP) | 2001-10-09 | — | — | US | disclosed |
| EP-0919574-A1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | Ube Industries, Ltd. (JP) | 1999-06-02 | — | — | EP | disclosed |