⚠ 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 SCHEMBL16758294 | 0.77 | — | — | |
| SCHEMBL6812902 | 0.72 | MEN1 (0.30) | — | |
| SCHEMBL6813968 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL6812826 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5888479 | 0.60 | — | — | |
| SCHEMBL3931292 | 0.57 | — | — | |
| SCHEMBL10577467 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL8831906 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL8831418 | 0.57 | — | — | |
| SCHEMBL7923511 | 0.55 | — | — |
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 |