⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4447065 | 0.76 | — | — | |
| SCHEMBL107704 | 0.69 | — | — | |
| SCHEMBL2686579 | 0.67 | — | — | |
| SCHEMBL20189043 | 0.67 | — | — | |
| SCHEMBL2510884 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL5925278 | 0.67 | — | — | |
| SCHEMBL28936941 | 0.65 | — | — | |
| SCHEMBL10889954 | 0.63 | — | — | |
| SCHEMBL1600875 | 0.62 | — | — | |
| SCHEMBL4433963 | 0.61 | — | — |
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-8242159-B2 | 1,3-dihydro-5-isobenzofurancarbonitrile derivatives and pharmaceutical composition thereof for the treatment of premature ejaculation | DONG-A PHARMACEUTICAL. CO., LTD (KR) | 2012-08-14 | — | — | US | disclosed |
| CN-101910146-A | Novel 1,3-dihydro-5-isobenzofurancarbonitrile derivatives and pharmaceutical composition thereof for the treatment of premature ejaculation | DONG A PHARM CO LTD | 2010-12-08 | — | — | CN | disclosed |
| US-20100240725-A1 | NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION | DONG-A PHARMACEUTICAL. CO., LTD (KR) | 2010-09-23 | — | — | US | disclosed |