⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL8856768 | 0.83 | KDM4E (0.40) | — | |
| SCHEMBL6246004 | 0.80 | — | — | |
| SCHEMBL5158782 | 0.79 | CAPN1 (0.47) | — | |
| SCHEMBL30453627 | 0.79 | MEN1 (0.57) | — | |
| SCHEMBL4874305 | 0.78 | — | — | |
| SCHEMBL1072537 | 0.78 | — | — | |
| SCHEMBL1609642 | 0.78 | ACACB (0.41) | — | |
| Hydrochloric Acid SCHEMBL28139048 | 0.77 | CAPN1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL3263820 | 0.77 | — | — | |
| SCHEMBL30453633 | 0.76 | KDM4E (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106967066-B | Novel ss-lactam enzyme inhibitor and preparation method thereof | 明治制果药业株式会社 | 2019-07-30 | — | — | CN | disclosed |
| CN-105859609-B | Beta-lactamase inhibitor and preparation method thereof | 明治制果药业株式会社 | 2019-04-09 | — | — | CN | disclosed |
| CN-105175421-B | Midbody compound and application thereof for synthesis of selective NK-3 receptor antagonists | 欧歌达有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-106967066-A | New beta lactamase restrainer and preparation method thereof | 明治制果药业株式会社 | 2017-07-21 | — | — | CN | disclosed |
| CN-104334559-B | Beta-lactamase inhibitor and preparation method thereof | 明治制果药业株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-105859609-A | Beta-lactamase inhibitor and process for preparing the same | 明治制果药业株式会社 | 2016-08-17 | — | — | CN | disclosed |
| CN-102906093-B | NK-3 receptor selective antagonists compound, pharmaceutical composition and the using method in the receptor-mediated disease of NK-3 | EUROSCREEN S.A. (BE) | 2016-01-13 | — | — | CN | disclosed |
| CN-105175421-A | Novel chiral n-acyl-5,6,7,(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective nk-3 receptor antagonists, pharmaceutical composition, methods for use in nk-3 receptor mediated disorders and chiral synthesis thereof | EUROSCREEN SA | 2015-12-23 | — | — | CN | disclosed |
| CN-103906750-A | Novel chiral N-acyl-5, 6,7, (8-substituted) -tetrahydro- [1,2,4] triazolo [4,3-a ] pyrazines as selective NK-3 receptor antagonists, pharmaceutical compositions, methods for use in NK-3 receptor mediated diseases and chiral synthesis thereof | EUROSCREEN SA | 2014-07-02 | — | — | CN | disclosed |
| CN-102906093-A | Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders | EUROSCREEN SA | 2013-01-30 | — | — | CN | disclosed |
| EP-1572693-A1 | MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS | Pharmacia Corporation (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004058762-A1 | MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |
| EP-0566446-A1 | Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy | INNOTHERA (FR) | 1993-10-20 | — | — | EP | disclosed |
| WO-1993020046-A1 | INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR PREPARATION OF SAME AND THEIR USE AS THERAPEUTIC AGENTS | INNOTHERA (FR) | 1993-10-14 | — | — | WO | disclosed |