⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL258314 | 0.73 | HDAC4 (0.31) | — | |
| SCHEMBL21840456 | 0.73 | — | — | |
| SCHEMBL258281 | 0.71 | HDAC4 (0.30) | — | |
| SCHEMBL2692225 | 0.71 | GRIN1 (0.42) | — | |
| SCHEMBL15658952 | 0.70 | GRIN1 (0.41) | — | |
| SCHEMBL4130871 | 0.70 | GRIN1 (0.41) | — | |
| SCHEMBL486946 | 0.67 | ESR1 (0.30) | — | |
| SCHEMBL3670745 | 0.67 | — | — | |
| SCHEMBL4433128 | 0.66 | GRIN2D (0.38) | — | |
| SCHEMBL486974 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7186469-B2 | Bathophenanthroline compound and EL device | SONY CORPORATION (JP) | 2007-03-06 | — | — | US | claimed |
| US-4877412-A | Sulfo group-containing monoazo compounds having an unsubstituted or substituted 4-(benzothiazol-2'-yl)phenyl or 4-(6'-benzothiazol-2\"yl)-benzothiazol-2'-yl)phenyldiazo component radical and a 6-hydroxypyrid-2-one coupling component radical | SANDOZ LTD. (CH) | 1989-10-31 | — | — | US | disclosed |
| EP-0198848-B1 | ANIONIC MONOAZO COMPOUNDS OF THE BENZOTHIAZOLE SERIES | SANDOZ AG (CH) | 1989-05-24 | — | — | EP | disclosed |
| EP-0198848-A1 | Anionic Monoazo Compounds of the Benzothiazole Series. | SANDOZ AG (CH) | 1986-10-29 | — | — | EP | disclosed |
| WO-1986001815-A1 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | SANDOZ AG (CH) | 1986-03-27 | — | — | WO | disclosed |