⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17614232 | 0.74 | MEN1 (0.48) | — | |
| SCHEMBL8320888 | 0.74 | — | — | |
| SCHEMBL11571739 | 0.69 | — | — | |
| SCHEMBL933674 | 0.67 | KDM4A (0.45) | — | |
| SCHEMBL10668659 | 0.67 | NOS1 (0.40) | — | |
| SCHEMBL1057812 | 0.67 | — | — | |
| SCHEMBL6967129 | 0.65 | — | — | |
| SCHEMBL8233830 | 0.65 | — | — | |
| SCHEMBL6908941 | 0.65 | — | — | |
| SCHEMBL18634284 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160082123-A1 | Hydrogel-Linked Prodrugs Releasing Tagged Drugs | ASCENDIS PHARMA A/S (DK) | 2016-03-24 | — | — | US | disclosed |
| US-5866594-A | Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1999-02-02 | — | — | US | disclosed |
| EP-0791582-A1 | INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1997-08-27 | — | — | EP | disclosed |