⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL968041 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL965556 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL967773 | 0.91 | — | — | |
| Methane SCHEMBL7526221 | 0.88 | — | — | |
| Chloromethane SCHEMBL7523278 | 0.88 | — | — | |
| Toluene SCHEMBL967006 | 0.86 | LMNA (0.48) | — | |
| Carbon Monoxide SCHEMBL563748 | 0.86 | — | — | |
| Formaldehyde SCHEMBL18152490 | 0.86 | — | — | |
| Formaldehyde SCHEMBL14763409 | 0.86 | — | — | |
| Hexamethylbenzene SCHEMBL965380 | 0.86 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7868103-B2 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2011-01-11 | — | — | US | disclosed |
| US-20090143548-A1 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2009-06-04 | — | — | US | disclosed |
| 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 |