⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL343862 | 1.00 | — | — | |
| SCHEMBL343995 | 1.00 | — | — | |
| SCHEMBL9597426 | 1.00 | — | — | |
| SCHEMBL343996 | 1.00 | — | — | |
| SCHEMBL343861 | 1.00 | — | — | |
| Isobutane SCHEMBL22426396 | 0.93 | CHRM2 (0.50) | — | |
| SCHEMBL27719368 | 0.81 | — | — | |
| SCHEMBL9795957 | 0.81 | — | — | |
| SCHEMBL6113726 | 0.79 | PRKD3 (0.58) | — | |
| SCHEMBL3049291 | 0.79 | CHRM2 (0.39) | — |
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-8735633-B2 | Methods for making 1,3-dihydroxyacetone (DHA) from glycerol | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2014-05-27 | — | — | US | claimed |
| US-20120014889-A1 | METHODS FOR MAKING 1,3-DIHYDROXYACETONE (DHA) FROM GLYCEROL | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY | 2012-01-19 | — | — | US | claimed |
| US-8735633-B2 | Methods for making 1,3-dihydroxyacetone (DHA) from glycerol | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2014-05-27 | — | — | US | disclosed |
| US-20120014889-A1 | METHODS FOR MAKING 1,3-DIHYDROXYACETONE (DHA) FROM GLYCEROL | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY | 2012-01-19 | — | — | US | disclosed |
| US-7785839-B2 | Methods to manufacture 1,3-dioxolane nucleosides | EMORY UNIVERSITY (US) | 2010-08-31 | — | — | US | disclosed |