⚠ 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 | |
|---|---|---|---|---|
| Cyclobutanol SCHEMBL4955 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL11330010 | 0.91 | — | — | |
| Cyclobutanol SCHEMBL31531859 | 0.91 | — | — | |
| Cyclopentanol SCHEMBL8945182 | 0.87 | — | — | |
| Cyclobutanol SCHEMBL3002763 | 0.86 | — | — | |
| Cyclobutanol SCHEMBL16236751 | 0.86 | — | — | |
| SCHEMBL328907 | 0.86 | TSHR (0.82) | — | |
| SCHEMBL11691617 | 0.86 | TSHR (0.82) | — | |
| Cyclobutanol SCHEMBL4702724 | 0.86 | — | — | |
| SCHEMBL1821097 | 0.86 | TSHR (0.82) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106986872-A | Bromine domain inhibitor | 艾伯维公司 | 2017-07-28 | — | — | CN | disclosed |
| WO-2003071085-A2 | ANHYDRIDE-MODIFIED CHITOSAN, METHOD OF PREPARATION THEREOF, AND FLUIDS CONTAINING SAME | VENTURE INNOVATIONS, INC. (US) | 2003-08-28 | — | — | WO | disclosed |
| EP-0352013-A2 | Hydroxymethyl cyclobutyl purines | E.R. Squibb & Sons, Inc. (US) | 1990-01-24 | — | — | EP | disclosed |
| US-4255301-A | HEAT RESISTANCE, PHOTOSTABILITY | ARGUS CHEMICAL CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |