⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL31467740 | 0.82 | — | — | |
| Phosphonic Acid SCHEMBL1966052 | 0.82 | — | — | |
| SCHEMBL29001752 | 0.80 | — | — | |
| Tert-Butanol SCHEMBL816081 | 0.78 | — | — | |
| Phosphonic Acid SCHEMBL10860751 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL8965308 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL10859712 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL27324117 | 0.77 | — | — | |
| Trichloroethane SCHEMBL31350210 | 0.75 | — | — | |
| Phosphonic Acid SCHEMBL17923495 | 0.75 | THRB (0.38) | — |
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-20120252979-A1 | Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers | RADEMACHER CHRISTINE (US) | 2012-10-04 | — | — | US | disclosed |
| US-6303692-B1 | PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING INTO SYNDIOTACTIC 1,2-POLYBUTADIENE BY USING CATALYST FORMULATION COMPRISING MOLYBDENUM COMPOUND, HYDROGEN PHOSPHITE COMPOUND AND ORGANOALUMINUM COMPOUND | BRIDGESTONE CORPORATION (JP) | 2001-10-16 | — | — | US | disclosed |
| US-6288183-B1 | ADDITION POLYMERIZATION WITH COORDINATION CATALYST COMPRISING IRON COMPOUND, HYDROGEN PHOSPHITE, AND STERICALLY DISTINCT ORGANOALUMINUM COMPOUND BLEND | BRIDGESTONE CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |
| US-6281305-B1 | REACTION PRODUCT OF IRON COMPOUND, PHOSPHITE, HALOGEN COMPOUND AND ORGANOALUMINUM COMPOUND | BRIDGESTONE CORPORATION (JP) | 2001-08-28 | — | — | US | disclosed |
| US-6211313-B1 | COORDINATION COMPOUND OF IRON CONTAINING COMPOUND, PHOSPHITE AND ORGANOALUMINUM COMPOUND | BRIDGESTONE CORPORATION (JP) | 2001-04-03 | — | — | US | disclosed |