⚠ 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 | |
|---|---|---|---|---|
| Hypochlorous Acid SCHEMBL27758664 | 0.79 | — | — | |
| 1,1-Dichloroethene SCHEMBL244212 | 0.72 | — | — | |
| SCHEMBL1039815 | 0.72 | — | — | |
| SCHEMBL1568204 | 0.72 | — | — | |
| 1,1-Dichloroethene SCHEMBL7620 | 0.72 | — | — | |
| 1,1-Dichloroethene SCHEMBL979464 | 0.72 | — | — | |
| SCHEMBL18135389 | 0.71 | — | — | |
| SCHEMBL12256774 | 0.71 | — | — | |
| 1,1-Dichloroethene SCHEMBL20872433 | 0.67 | — | — | |
| 1,1-Dichloroethene SCHEMBL1855244 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101754959-B | System for controlling reactivity of boronic acids | UNIV ILLINOIS | 2014-05-14 | — | — | CN | disclosed |
| WO-2013008013-A2 | IODINE DEVICE AND ENCLOSURE | ACTIVE DEVICE DEVELOPMENT LIMITED (GB) | 2013-01-17 | — | — | WO | disclosed |
| WO-2005097768-A2 | NOVEL GAMMA SECRETASE INHIBITORS | SCHERING CORPORATION (US) | 2005-10-20 | — | — | WO | disclosed |
| US-5484895-A | OF A VASCULAR PLANT, A THERMOPLASTIC AND A GRAFTED LAYER | MEISTER, JOHN J. | 1996-01-16 | — | — | US | disclosed |
| US-5364989-A | Reaction of vinylidene chloride with nitric acid and hydrogen chloride | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-11-15 | — | — | US | disclosed |
| EP-0381130-A2 | Production of alpha-unsaturated amines | Takeda Chemical Industries, Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |
| EP-0108627-A2 | Cephalosporin derivatives and process for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-05-16 | — | — | EP | disclosed |
| EP-0039547-A1 | Halogenation process using a halide carrier and process for regeneration of the halide carrier | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-11-11 | — | — | EP | disclosed |