⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6204507 | 0.74 | — | — | |
| SCHEMBL4821484 | 0.74 | THRB (0.36) | — | |
| SCHEMBL542967 | 0.73 | TRPV3 (0.31) | — | |
| SCHEMBL161774 | 0.73 | L3MBTL1 (0.46) | — | |
| SCHEMBL9671872 | 0.73 | THRB (0.33) | — | |
| SCHEMBL8648960 | 0.72 | — | — | |
| SCHEMBL4821375 | 0.72 | THRB (0.31) | — | |
| SCHEMBL534114 | 0.71 | KMT2A (0.33) | — | |
| SCHEMBL9671307 | 0.71 | THRB (0.30) | — | |
| SCHEMBL9672083 | 0.71 | THRB (0.30) | — |
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-7371773-B2 | Breast cancer resistance protein (BCRP) inhibitor | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2008-05-13 | — | — | US | disclosed |
| US-20060128636-A1 | Breast cancer resistance protein (bcrp) inhibitor | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1591117-A1 | BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR | Kabushiki Kaisha Yakult Honsha (JP) | 2005-11-02 | — | — | EP | disclosed |