⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1548514 | 0.92 | — | — | |
| Methane SCHEMBL28897899 | 0.88 | — | — | |
| Ethane SCHEMBL28445692 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL9651863 | 0.81 | — | — | |
| Cyclohexane SCHEMBL4451045 | 0.81 | ALDH1A1 (0.35) | — | |
| Propene SCHEMBL11232949 | 0.81 | TSHR (0.30) | — | |
| Propane SCHEMBL28442519 | 0.79 | TSHR (0.33) | — | |
| Boric Acid SCHEMBL28830634 | 0.79 | — | — | |
| Ethylene SCHEMBL9158415 | 0.77 | — | — | |
| Phosphoric Acid SCHEMBL28835857 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-56010171-A | — | — | None | — | — | JP | disclosed |
| EP-1524289-B1 | POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-09-16 | — | — | EP | disclosed |
| US-20070149639-A1 | Polymerizable composition, optical material comprising the composition and method for producing the material | HORIKOSHI HIROSHI | 2007-06-28 | — | — | US | disclosed |
| EP-1524289-A1 | POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-04-20 | — | — | EP | disclosed |
| US-20040254258-A1 | Polymerizable composition, optical material comprising the composition and method for producing the material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2004-12-16 | — | — | US | disclosed |
| US-4337154-A | FORMED FROM A POLYALKYLENIMINE AND A NITROGEN-HETEROCYCLIC SECONDARY AMINE COMPOUND | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) | 1982-06-29 | — | — | US | disclosed |
| JP-S5610171-A | ANALGESIC | RES INST FOR PROD DEV | 1981-02-02 | — | — | JP | disclosed |