⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8966618 | 0.79 | LPAR3 (0.40) | — | |
| SCHEMBL9497034 | 0.69 | — | — | |
| SCHEMBL7023619 | 0.69 | — | — | |
| SCHEMBL4188617 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL9498984 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL4229622 | 0.67 | — | — | |
| SCHEMBL8966766 | 0.65 | ADRB2 (0.36) | — | |
| SCHEMBL4274115 | 0.65 | CYP3A4 (0.37) | — | |
| SCHEMBL3022307 | 0.65 | CA1 (0.35) | — | |
| SCHEMBL3672666 | 0.65 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8399570-B2 | Functionalized polymers and improved tires therefrom | BRIDGESTONE CORPORATION (JP) | 2013-03-19 | — | — | US | disclosed |
| US-20090326161-A1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | BRIDGESTONE CORPORATION (JP) | 2009-12-31 | — | — | US | disclosed |
| US-7598322-B1 | particularly tire treads exhibiting reduced rolling resistance; a vulcanized rubbery polymer such as polybutadiene-butadiene-styrene copolymer made from living polymerization using butyllithium initiator and a tributyloxyborane as polymerization terminator | BRIDGESTONE CORPORATION (JP) | 2009-10-06 | — | — | US | disclosed |