⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14396914 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL480246 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL6695496 | 0.69 | CYP2D6 (0.41) | — | |
| SCHEMBL10983582 | 0.69 | CYP2D6 (0.41) | — | |
| SCHEMBL19558728 | 0.69 | CYP2E1 (0.37) | — | |
| SCHEMBL6602472 | 0.68 | CYP2D6 (0.39) | — | |
| SCHEMBL7371111 | 0.67 | CYP2E1 (0.38) | — | |
| SCHEMBL12171 | 0.65 | TAAR1 (0.62) | — | |
| SCHEMBL2245869 | 0.65 | ESR1 (0.46) | — | |
| SCHEMBL2478908 | 0.62 | CYP3A4 (0.41) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8440672-B2 | Diphenyl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2013-05-14 | — | — | US | disclosed |
| US-8440672-B2 | Diphenyl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2013-05-14 | — | — | US | disclosed |
| US-8440672-B2 | Diphenyl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2013-05-14 | — | — | US | disclosed |
| EP-2013174-B1 | DIARYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |
| EP-2013174-B1 | DIARYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |
| US-8426413-B2 | Diaryl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426413-B2 | Diaryl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426413-B2 | Diaryl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2013-04-23 | — | — | US | disclosed |
| US-20120149674-A1 | Diaryl Substituted Alkanes | MERCK SHARPE & DOHME CORP. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149674-A1 | Diaryl Substituted Alkanes | MERCK SHARPE & DOHME CORP. (US) | 2012-06-14 | — | — | US | disclosed |
| US-8124628-B2 | Diaryl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2012-02-28 | — | — | US | disclosed |
| US-8124628-B2 | Diaryl substituted alkanes | MERCK SHARP & DOHME CORP. (US) | 2012-02-28 | — | — | US | disclosed |
| EP-2064204-B1 | INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) | MERCK SHARP & DOHME (US) | 2012-02-01 | — | — | EP | disclosed |
| EP-2064204-B1 | INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) | MERCK SHARP & DOHME (US) | 2012-02-01 | — | — | EP | disclosed |
| US-20100168076-A1 | DIPHENYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME CORP. | 2010-07-01 | — | — | US | disclosed |
| US-20100168076-A1 | DIPHENYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME CORP. | 2010-07-01 | — | — | US | disclosed |
| US-20100168076-A1 | DIPHENYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME CORP. | 2010-07-01 | — | — | US | disclosed |
| US-20090258851-A1 | DIARYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| US-20090258851-A1 | DIARYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| WO-2008030369-A1 | INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |