⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL420466 | 0.91 | TSHR (0.71) | — | |
| Hexane SCHEMBL9660285 | 0.91 | TSHR (0.71) | — | |
| Tetradecane SCHEMBL28244850 | 0.87 | TSHR (0.79) | — | |
| Pentane SCHEMBL1142366 | 0.87 | TSHR (0.92) | — | |
| Heptane SCHEMBL9531613 | 0.87 | TSHR (0.79) | — | |
| Pentane SCHEMBL8737322 | 0.86 | TSHR (0.70) | — | |
| Pentane SCHEMBL4347896 | 0.86 | TSHR (0.70) | — | |
| Pentane SCHEMBL3620138 | 0.86 | TSHR (0.70) | — | |
| Pentane SCHEMBL263747 | 0.86 | — | — | |
| 1,2-Dichloroethane SCHEMBL28113335 | 0.84 | TSHR (0.86) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458904-A | N-substituted sulfonamide compound and method for producing same | 宇部兴产株式会社 | 2017-02-22 | — | — | CN | disclosed |
| US-20030144438-A1 | Complexes of pyridyldiimines with vanadium and other transition metals, and their use as olefin oligomerization and polymerization catalysts | PHILLIPS PETROLEUM COMPANY | 2003-07-31 | — | — | US | disclosed |
| US-6458905-B1 | A POLYMERIZATION PROCESS FOR POLYMERIZING AT LEAST ONE OLEFIN IN THE PRESENCE OF A PYRIDYLDIIMINE METAL COMPLEX AS A CATALYST HAVING ONE OF THE STRUCTURES | PHILLIPS PETROLEUM COMPANY | 2002-10-01 | — | — | US | disclosed |
| EP-0084999-B1 | PROCESS FOR THE PREPARATION OF ORGANIC OLIGOSACCHARIDES, CORRESPONDING TO FRAGMENTS OF NATURAL MUCO-POLYSACCHARIDES, OLIGOSACCHARIDES OBTAINED AND THEIR BIOLOGICAL APPLICATIONS | D.R.O.P.I.C. (Société Civile) (FR) | 1988-04-13 | — | — | EP | disclosed |
| EP-0084999-A1 | Process for the preparation of organic oligosaccharides, corresponding to fragments of natural muco-polysaccharides, oligosaccharides obtained and their biological applications | D.R.O.P.I.C. (Société Civile) (FR) | 1983-08-03 | — | — | EP | disclosed |
| US-4301278-A | BY HYDROGENATION IN THE PRESENCE OF A CATALYST | CIBA-GEIGY CORPORATION (US) | 1981-11-17 | — | — | US | disclosed |