⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12447721 | 0.77 | — | — | |
| SCHEMBL14700445 | 0.75 | — | — | |
| SCHEMBL25470993 | 0.75 | — | — | |
| SCHEMBL15929898 | 0.75 | — | — | |
| SCHEMBL14882815 | 0.70 | — | — | |
| SCHEMBL15929924 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL15929905 | 0.66 | RPS6KB2 (0.39) | — | |
| SCHEMBL15929903 | 0.65 | — | — | |
| SCHEMBL12567043 | 0.58 | KMT2A (0.35) | — | |
| SCHEMBL10046696 | 0.57 | — | — |
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-20140221664-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2014-08-07 | — | — | US | disclosed |
| US-20140221664-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2014-08-07 | — | — | US | disclosed |
| US-20130102785-A1 | METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-04-25 | — | — | US | disclosed |