⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14731228 | 0.83 | — | — | |
| SCHEMBL14719034 | 0.78 | DDB1 (0.34) | — | |
| SCHEMBL14719036 | 0.78 | DDB1 (0.34) | — | |
| SCHEMBL14719362 | 0.76 | CYP3A4 (0.42) | — | |
| SCHEMBL14727972 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL14719330 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL14719328 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL14727967 | 0.75 | MMP2 (0.40) | — | |
| SCHEMBL12391667 | 0.68 | MEN1 (0.37) | — | |
| SCHEMBL14719640 | 0.68 | — | — |
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-9790187-B2 | Heterocyclic compounds | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2017-10-17 | — | — | US | disclosed |
| US-20150307455-A1 | HETEROCYCLIC COMPOUNDS | NATIONAL SCIENCE FOUNDATION | 2015-10-29 | — | — | US | disclosed |
| US-9102683-B2 | Heterocyclic compounds | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2015-08-11 | — | — | US | disclosed |
| US-20130053553-A1 | HETEROCYCLIC COMPOUNDS | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2013-02-28 | — | — | US | disclosed |