⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138507 | 0.85 | — | — | |
| SCHEMBL135435 | 0.82 | — | — | |
| SCHEMBL137474 | 0.80 | SOAT1 (0.40) | — | |
| SCHEMBL143002 | 0.80 | SOAT1 (0.40) | — | |
| SCHEMBL21467448 | 0.80 | SOAT1 (0.40) | — | |
| SCHEMBL10402550 | 0.78 | CYP3A4 (0.41) | — | |
| SCHEMBL29081069 | 0.77 | SOAT1 (0.57) | — | |
| SCHEMBL5475682 | 0.77 | SOAT1 (0.57) | — | |
| Octadecanoic Acid Amide SCHEMBL15360442 | 0.77 | SOAT1 (0.57) | — | |
| SCHEMBL28993664 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103442567-B | Containing the composition of polymerization plasma type compound comprising imidazole group | BASF SE (DE) | 2016-02-10 | — | — | CN | disclosed |
| WO-2014197763-A1 | MOLECULAR DESIGN TOWARD DUAL-MODALITY PROBES FOR RADIOISOTOPE-BASED IMAGING (PET OR SPECT) AND MRI | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEAS SYSTEM (US) | 2014-12-11 | — | — | WO | disclosed |
| US-8728442-B2 | Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides | BAYER CROPSCIENCE LP (US) | 2014-05-20 | — | — | US | disclosed |
| CN-103442567-A | Compositions containing polymeric, ionic compounds comprising imidazolium groups | BASF SE | 2013-12-11 | — | — | CN | disclosed |
| US-20120058058-A1 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| WO-2008112938-A2 | COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY A PEPTIDE RECEPTOR | NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) | 2008-09-18 | — | — | WO | disclosed |