⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12192065 | 0.95 | PTGS2 (0.31) | — | |
| SCHEMBL5028180 | 0.81 | — | — | |
| SCHEMBL19917404 | 0.81 | — | — | |
| SCHEMBL29074461 | 0.77 | CA2 (0.45) | — | |
| SCHEMBL12640039 | 0.76 | — | — | |
| SCHEMBL16098704 | 0.72 | — | — | |
| SCHEMBL25394341 | 0.71 | — | — | |
| SCHEMBL18407069 | 0.71 | TRPA1 (0.31) | — | |
| SCHEMBL777039 | 0.69 | CA1 (0.48) | — | |
| SCHEMBL6229386 | 0.69 | CA1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120302566-A1 | INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-11-29 | — | — | US | disclosed |
| US-20120302566-A1 | INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-11-29 | — | — | US | disclosed |