⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9633659 | 0.77 | — | — | |
| SCHEMBL11448233 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL29086911 | 0.74 | — | — | |
| SCHEMBL13656398 | 0.72 | — | — | |
| SCHEMBL27695317 | 0.72 | — | — | |
| SCHEMBL9188671 | 0.70 | — | — | |
| SCHEMBL10773900 | 0.70 | — | — | |
| Potassium Ion SCHEMBL9186369 | 0.70 | — | — | |
| SCHEMBL9184975 | 0.70 | — | — | |
| Potassium Ion SCHEMBL9181470 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1802726-A4 | PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF | POLYMERS AUSTRALIA PTY LTD (AU) | 2008-04-30 | — | — | EP | disclosed |
| EP-1802726-A1 | PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF | Polymers Australia PTY Limited (AU) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006024099-A1 | PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF | POLYMERS AUSTRALIA PTY LIMITED (AU) | 2006-03-09 | — | — | WO | disclosed |
| CN-86101573-A | The novel collector that is used for the mineral froth flotation | — | 1987-06-03 | — | — | CN | disclosed |
| US-4215140-A | Cyanomethyl alkyl trithiocarbonates as insecticidal agents | ALLIED CHEMICAL CORPORATION (US) | 1980-07-29 | — | — | US | disclosed |
| US-4197311-A | CONTROL OF INSECTS AND ACARINA, ALSO OVICIDAL USE OF DITHIOCARBONATES | AMERICAN CYANAMID COMPANY (US) | 1980-04-08 | — | — | US | disclosed |