⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3624659 | 0.83 | NAAA (0.44) | — | |
| SCHEMBL29263719 | 0.79 | NAAA (0.50) | — | |
| SCHEMBL756663 | 0.75 | — | — | |
| SCHEMBL10452274 | 0.73 | NAAA (0.39) | — | |
| Bromide SCHEMBL20534560 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL32675075 | 0.73 | — | — | |
| SCHEMBL27875522 | 0.72 | KDM4E (0.37) | — | |
| SCHEMBL4276100 | 0.71 | — | — | |
| SCHEMBL20964349 | 0.71 | — | — | |
| SCHEMBL356946 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3402784-B1 | 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-11 | — | — | EP | disclosed |
| CN-104837816-A | GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient | LG LIFE SCIENCES LTD | 2015-08-12 | — | — | CN | disclosed |
| CN-104788385-A | Method for preparing 2- substituted pyrimidine derivative | Hunan huateng pharmaceutical co ltd | 2015-07-22 | — | — | CN | disclosed |
| CN-1956954-B | Novel androgens | ORGANON NV | 2011-05-04 | — | — | CN | disclosed |
| CN-101312939-A | Heterocyclic cetp inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-11-26 | — | — | CN | disclosed |
| CN-1956954-A | Novel androgens | ORGANON NV (NL) | 2007-05-02 | — | — | CN | disclosed |