⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4581086 | 0.77 | — | — | |
| SCHEMBL8686964 | 0.76 | — | — | |
| SCHEMBL18967752 | 0.74 | — | — | |
| SCHEMBL968737 | 0.69 | — | — | |
| SCHEMBL19027653 | 0.67 | ROCK2 (0.35) | — | |
| SCHEMBL25120833 | 0.66 | NQO1 (0.33) | — | |
| SCHEMBL42386 | 0.66 | — | — | |
| SCHEMBL14435539 | 0.65 | NQO1 (0.30) | — | |
| SCHEMBL729759 | 0.65 | — | — | |
| SCHEMBL15473370 | 0.65 | MCHR1 (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863757-B1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2003-03-26 | — | — | EP | claimed |
| EP-0863757-A1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 1998-09-16 | — | — | EP | claimed |
| EP-0863757-A4 | — | — | 1998-09-16 | — | — | EP | claimed |
| US-5792778-A | TREATMENT OF CYTOKINE MEDIATED DISEASES | MERCK & CO., INC. (US) | 1998-08-11 | — | — | US | claimed |
| WO-1997005877-A1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-02-20 | — | — | WO | claimed |
| EP-0863757-B1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-1997005877-A1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-02-20 | — | — | WO | disclosed |