⚠ 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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL31019850 | 0.81 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29366428 | 0.79 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL1284994 | 0.79 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29389931 | 0.77 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL42874 | 0.77 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL1155123 | 0.69 | TSHR (1.00) | — | |
| 1,2-Dichlorobenzene SCHEMBL5190 | 0.69 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29350623 | 0.69 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL10593125 | 0.69 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL11283617 | 0.66 | TSHR (0.91) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3719003-A1 | NITRILE OXIDE COMPOUND, COMPOSITION, MODIFIED POLYOLEFIN AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING BLOCK COPOLYMER | Mitsubishi Chemical Corporation (JP) | 2020-10-07 | — | — | EP | disclosed |
| US-20200283429-A1 | NITRILE OXIDE COMPOUND, COMPOSITION, MODIFIED POLYOLEFIN AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING BLOCK COPOLYMER | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-09-10 | — | — | US | disclosed |
| US-7868097-B2 | Hybrid polymer and method for production thereof | MITSUI CHEMICALS, INC. (JP) | 2011-01-11 | — | — | US | disclosed |
| US-20090280318-A1 | OLEFIN POLYMER, COMPOSITION THEREOF AND ADHESIVE RESIN COMPRISING THE COMPOSITION | MITSUI CHEMICALS, INC. (JP) | 2009-11-12 | — | — | US | disclosed |
| US-20090076233-A1 | HYBRID POLYMER AND METHOD FOR PRODUCTION THEREOF | MITSUI CHEMICALS, INC. (JP) | 2009-03-19 | — | — | US | disclosed |
| EP-1964865-A1 | OLEFIN POLYMER, COMPOSITION THEREOF, AND ADHESIVE RESIN COMPOSED OF SUCH COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2008-09-03 | — | — | EP | disclosed |
| EP-1854815-A1 | HYBRID POLYMER AND METHOD FOR PRODUCTION THEREOF | Mitsui Chemicals, Inc. (JP) | 2007-11-14 | — | — | EP | disclosed |