⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3862007 | 0.83 | — | — | |
| SCHEMBL2087793 | 0.75 | — | — | |
| SCHEMBL4446075 | 0.75 | — | — | |
| SCHEMBL8584595 | 0.74 | — | — | |
| SCHEMBL11231100 | 0.73 | — | — | |
| SCHEMBL7096785 | 0.73 | — | — | |
| SCHEMBL20107062 | 0.71 | — | — | |
| SCHEMBL529229 | 0.67 | — | — | |
| SCHEMBL791368 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL609536 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180118912-A1 | CARBON AEROGELS VIA POLYHEXAHYDROTRIAZINE REACTIONS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2018-05-03 | — | — | US | disclosed |
| US-20130112608-A1 | METHODS, COMPOSITIONS AND DEVICES UTILIZING STRUCTURALLY STABLE CYANURIC ACID HYDROLASE | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2013-05-09 | — | — | US | disclosed |
| US-8367389-B2 | Methods, compositions and devices utilizing structurally stable cyanuric acid hydrolase | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2013-02-05 | — | — | US | disclosed |
| US-20110127208-A1 | METHODS, COMPOSITIONS AND DEVICES UTILIZING STRUCTURALLY STABLE CYANURIC ACID HYDROLASE | REGENTS OF THE UNIVERSITY OF MINNESOTA | 2011-06-02 | — | — | US | disclosed |