⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL145014 | 0.79 | TSHR (0.33) | — | |
| Formic Acid SCHEMBL19181191 | 0.65 | — | — | |
| SCHEMBL1132483 | 0.62 | TSHR (0.31) | — | |
| Hydrogen Sulfide SCHEMBL11755188 | 0.61 | — | — | |
| SCHEMBL1832260 | 0.60 | SLC22A1 (0.41) | — | |
| SCHEMBL7711081 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL28018964 | 0.60 | KDM4E (0.35) | — | |
| SCHEMBL2766443 | 0.60 | TSHR (0.41) | — | |
| Water SCHEMBL10899203 | 0.58 | TSHR (0.39) | — | |
| Bromide SCHEMBL14890343 | 0.58 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0208641-B1 | MULTI-SYNTHETIZER AND SEMI-AUTOMATIC SYNTHESIS PROCESS OF PEPTIDES IN THE SOLID PHASE | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1989-09-20 | — | — | EP | claimed |
| US-20110052612-A1 | SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-03-03 | — | — | US | disclosed |
| US-20090163517-A1 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | BINGGELI ALFRED | 2009-06-25 | — | — | US | disclosed |
| EP-1889622-A1 | SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-02-20 | — | — | EP | disclosed |
| US-6005093-A | CONMPOUNDS USED AS REPLACEMENTS FOR ONE OR MORE COMPLEMENTARY NUCLEOSIDE BASES IN PROBES; ENABLE PHOTOACTIVE CROSSLINKING OF NUCLEIC ACID STRANDS IN HYBRIDIZATION ASSAYS AND THERAPEUTIC APPLICATIONS | NAXCOR (US) | 1999-12-21 | — | — | US | disclosed |
| EP-0827501-A4 | NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSS-LINKING AGENTS | NAXCOR (US) | 1998-06-10 | — | — | EP | disclosed |
| EP-0827501-A1 | NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSS-LINKING AGENTS | NAXCOR (US) | 1998-03-11 | — | — | EP | disclosed |
| EP-0478775-B1 | PEPTIDE DERIVATIVES | MITSUBISHI CHEM CORP (JP) | 1997-07-09 | — | — | EP | disclosed |
| US-4748002-A | Semi-automatic, solid-phase peptide multi-synthesizer and process for the production of synthetic peptides by the use of the multi-synthesizer | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1988-05-31 | — | — | US | disclosed |
| US-4438029-A | CONTROLLING SMOOTH MUSCLE CONTRACTION, HISTAMINE RELEASE, AND VASCULAR PERMEABILITY | RESEARCH CORPORATION (US) | 1984-03-20 | — | — | US | disclosed |