⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11365321 | 0.75 | — | — | |
| Lithium Ion SCHEMBL3887389 | 0.75 | — | — | |
| SCHEMBL71671 | 0.75 | — | — | |
| SCHEMBL16618631 | 0.75 | — | — | |
| SCHEMBL11655238 | 0.75 | — | — | |
| Zinc Ion SCHEMBL11357910 | 0.75 | — | — | |
| SCHEMBL9325894 | 0.75 | — | — | |
| Potassium Ion SCHEMBL1774290 | 0.75 | — | — | |
| Silver SCHEMBL11000976 | 0.75 | — | — | |
| SCHEMBL11460138 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7402705-B2 | Production of 3- (alkylthio) propanal | EVONIK DEGUSSA GMBH (DE) | 2008-07-22 | — | — | US | disclosed |
| US-7119233-B2 | Method for preparing 3-(methylthio)propanal | DEGUSSA AG (DE) | 2006-10-10 | — | — | US | disclosed |
| US-20060183945-A1 | Production of 3- (alkylthio) propanal | DEGUSSA AG (DE) | 2006-08-17 | — | — | US | disclosed |
| US-20060030739-A1 | Method for preparing 3-(methylthio) propanal | EVONIK DEGUSSA GMBH (DE) | 2006-02-09 | — | — | US | disclosed |
| US-4281123-A | Process for introducing three substituents in cyanuric chloride | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1981-07-28 | — | — | US | disclosed |