⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21148912 | 0.85 | — | — | |
| SCHEMBL11202993 | 0.83 | ALDH1A1 (0.64) | — | |
| SCHEMBL8287851 | 0.81 | ALDH1A1 (0.68) | — | |
| SCHEMBL15103162 | 0.81 | ALDH1A1 (0.68) | — | |
| SCHEMBL3971014 | 0.81 | NAMPT (0.52) | — | |
| SCHEMBL2744516 | 0.77 | — | — | |
| SCHEMBL21261846 | 0.77 | — | — | |
| SCHEMBL11202612 | 0.77 | — | — | |
| SCHEMBL13938722 | 0.77 | MAPT (0.48) | — | |
| SCHEMBL442562 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015081280-A1 | BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION | COFERON, INC. (US) | 2015-06-04 | — | — | WO | disclosed |
| EP-2356092-B1 | BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES | IRM LLC (BM) | 2014-04-16 | — | — | EP | disclosed |
| EP-0897385-A1 | HERBICIDAL HETEROCYCLICALLY ANNULATED BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-24 | — | — | EP | disclosed |
| EP-0897384-A1 | HERBICIDAL BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-24 | — | — | EP | disclosed |
| WO-1997038988-A1 | HERBICIDAL HETEROCYCLICALLY ANNULATED BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-23 | — | — | WO | disclosed |
| WO-1997038987-A1 | HERBICIDAL BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-23 | — | — | WO | disclosed |
| US-4260552-A | INSECTICIDES, HERBICIDES | UNIROYAL, INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4160846-A | Method for controlling insects with tetrasubstituted organotin compounds | UNIROYAL, INC. (US) | 1979-07-10 | — | — | US | disclosed |