⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL31238258 | 1.00 | ACHE (0.92) | — | |
| Toluene SCHEMBL27558766 | 0.96 | — | — | |
| Toluene SCHEMBL8433895 | 0.96 | ACHE (1.00) | — | |
| SCHEMBL12344964 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL10976206 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL1 | 0.96 | — | — | |
| Toluene SCHEMBL8938900 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL4429042 | 0.96 | ACHE (1.00) | — | |
| SCHEMBL12344943 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL8824270 | 0.96 | ACHE (1.00) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428855-B | Radically polymerizable resin composition, method for curing same, method for producing same, use of radically polymerizable resin composition, and method for using same | 昭和电工株式会社 | 2019-03-15 | — | — | CN | disclosed |
| CN-107428855-A | Radically polymerizable resin composition, method for curing same, method for producing same, use of radically polymerizable resin composition, and method for using same | 昭和电工株式会社 | 2017-12-01 | — | — | CN | disclosed |
| CN-101448861-B | Process for preparing polybutadiene | UBE INDUSTRIES | 2012-04-25 | — | — | CN | disclosed |
| US-20090143548-A1 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2009-06-04 | — | — | US | disclosed |
| CN-101448861-A | Method for producing polybutadiene | UBE INDUSTRIES (JP) | 2009-06-03 | — | — | CN | disclosed |
| EP-2028196-A1 | METHOD FOR PRODUCING POLYBUTADIENE | Ube Industries, Ltd. (JP) | 2009-02-25 | — | — | EP | disclosed |
| CN-1123579-C | Vanadium catalysts, their preparation and their use in the (co) polymerization of alpha-olefins | ENICHEM SPA (IT) | 2003-10-08 | — | — | CN | disclosed |