⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15979463 | 0.87 | PTGS1 (0.40) | — | |
| SCHEMBL12447214 | 0.72 | — | — | |
| SCHEMBL14692605 | 0.68 | PTGS1 (0.39) | — | |
| SCHEMBL13742048 | 0.65 | — | — | |
| SCHEMBL12924338 | 0.65 | ESR1 (0.36) | — | |
| SCHEMBL793199 | 0.64 | CES1 (0.30) | — | |
| SCHEMBL14882812 | 0.64 | HDAC8 (0.31) | — | |
| SCHEMBL11980220 | 0.63 | PTGS1 (0.39) | — | |
| SCHEMBL10100082 | 0.63 | PTGS2 (0.40) | — | |
| SCHEMBL14063021 | 0.62 | — | — |
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 10 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-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 |
| 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 |
| WO-2013023108-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (HETEROARYLENE SPACER MOIETY) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013023106-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ACYL MOIETIES) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013023107-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013023109-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (COUPLED TRICYCLIC CORE COMPOUNDS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2011098495-A1 | METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-08-18 | — | — | WO | disclosed |