⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL981128 | 0.74 | — | — | |
| SCHEMBL1263805 | 0.71 | CA1 (0.54) | — | |
| 4-Hydroxy-6-Methylpyran-2-One SCHEMBL320025 | 0.70 | — | — | |
| SCHEMBL4439220 | 0.70 | — | — | |
| SCHEMBL1803845 | 0.70 | — | — | |
| SCHEMBL7663185 | 0.70 | — | — | |
| SCHEMBL1804389 | 0.70 | — | — | |
| SCHEMBL7964491 | 0.69 | KDM4E (0.60) | — | |
| SCHEMBL7529040 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL15177531 | 0.67 | CA1 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8329445-B2 | Biosynthesis of phloroglucinol and preparation of 1,3-dihydroxybenzene therefrom | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2012-12-11 | — | — | US | disclosed |
| US-20110183391-A1 | Biosynthesis of Phloroglucinol and Preparation of 1,3-Dihydroxybenzene Therefrom | BOARD OF TRUSTEES OF MICHIGAN STATE OF UNIVERSITY (US) | 2011-07-28 | — | — | US | disclosed |
| US-7943362-B2 | Biosynthesis of phloroglucinol and preparation of 1,3-dihydroxybenzene therefrom | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2011-05-17 | — | — | US | disclosed |