⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4059820 | 1.00 | — | — | |
| SCHEMBL1238338 | 1.00 | — | — | |
| SCHEMBL431934 | 0.97 | — | — | |
| SCHEMBL2225149 | 0.91 | — | — | |
| SCHEMBL641601 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL14915497 | 0.74 | — | — | |
| SCHEMBL9800820 | 0.72 | — | — | |
| SCHEMBL542161 | 0.71 | SLC6A1 (0.34) | — | |
| SCHEMBL14914735 | 0.71 | — | — | |
| SCHEMBL4362207 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2855476-A2 | TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS | Eisai R&D Management Co., Ltd. (JP) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013181579-A2 | TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2013-12-05 | — | — | WO | disclosed |
| EP-2069347-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | Merck & Co., Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |
| EP-1871761-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | Adolor Corporation (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006105442-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2006-10-05 | — | — | WO | disclosed |