⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12294410 | 0.74 | — | — | |
| SCHEMBL6896355 | 0.74 | — | — | |
| SCHEMBL27633352 | 0.70 | — | — | |
| Benzene SCHEMBL27788964 | 0.70 | NOTUM (0.38) | — | |
| SCHEMBL5540225 | 0.64 | USP2 (0.30) | — | |
| SCHEMBL27575760 | 0.64 | — | — | |
| SCHEMBL3642541 | 0.63 | — | — | |
| SCHEMBL28135428 | 0.63 | CYP19A1 (0.35) | — | |
| SCHEMBL27877697 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL27598618 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2922823-A1 | PYRIMIDINE PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-09-30 | — | — | EP | claimed |
| WO-2014081619-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-05-30 | — | — | WO | claimed |
| WO-2011137587-A1 | CYTOKINE INHIBITORS | HUTCHISON MEDIPHARMA LIMITED (CN) | 2011-11-10 | — | — | WO | claimed |
| EP-2214669-A1 | CYTOKINE INHIBITORS | Hutchison Medipharma Enterprises Limited (BS) | 2010-08-11 | — | — | EP | claimed |
| WO-2009059162-A1 | CYTOKINE INHIBITORS | HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) | 2009-05-07 | — | — | WO | claimed |
| CN-103539659-B | 2,4-benzoic acid dibenzyl derivative and preparation method thereof and application | SOUTHEAST UNIVERSITY (CN) | 2015-11-18 | — | — | CN | disclosed |
| EP-2922823-A1 | PYRIMIDINE PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-09-30 | — | — | EP | disclosed |
| WO-2014081619-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-05-30 | — | — | WO | disclosed |
| CN-103539659-A | 2,4-dibenzyloxybenzoic acid derivative and preparation method and application thereof | UNIV SOUTHEAST | 2014-01-29 | — | — | CN | disclosed |
| EP-2536706-A1 | ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | Celgene Corporation (US) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011137587-A1 | CYTOKINE INHIBITORS | HUTCHISON MEDIPHARMA LIMITED (CN) | 2011-11-10 | — | — | WO | disclosed |
| WO-2011100380-A1 | ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORPORATION (US) | 2011-08-18 | — | — | WO | disclosed |
| EP-1902051-A1 | AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Frosst Canada Ltd. (CA) | 2008-03-26 | — | — | EP | disclosed |
| WO-2006130986-A1 | AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2006-12-14 | — | — | WO | disclosed |