⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6910163 | 1.00 | — | — | |
| SCHEMBL5388712 | 0.80 | — | — | |
| SCHEMBL4446324 | 0.80 | — | — | |
| SCHEMBL4792720 | 0.78 | — | — | |
| SCHEMBL9304739 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL18886184 | 0.77 | — | — | |
| SCHEMBL11206816 | 0.74 | — | — | |
| SCHEMBL10616009 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL3208309 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL9356336 | 0.72 | CYP2C19 (0.43) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115925721-A | Pyrimidone tricyclic derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-103351300-A | Preparation method of aliskiren intermediate side chain ((s)-methyl-2-bromoisovalerate) | BEIJING WANQUAN DEZHONG MEDICAL BIOLOG TECHNOLOGY CO LTD | 2013-10-16 | — | — | CN | disclosed |
| CN-103351300-A | Preparation method of aliskiren intermediate side chain ((s)-methyl-2-bromoisovalerate) | BEIJING WANQUAN DEZHONG MEDICAL BIOLOG TECHNOLOGY CO LTD | 2013-10-16 | — | — | CN | disclosed |
| CN-103354812-A | Imidazo [1,2-A ] pyridine sulfonamides as TRPM8 modulators | JANSSEN PHARMACEUTICA NV | 2013-10-16 | — | — | CN | disclosed |
| US-20070163332-A1 | Graft-modified organic porous material and process for producing the same | ORANGO CORPORATION (JP) | 2007-07-19 | — | — | US | disclosed |
| EP-1630193-A1 | GRAFT-MODIFIED ORGANIC POROUS MATERIAL AND PROCESS FOR PRODUCING THE SAME | Organo Corporation (JP) | 2006-03-01 | — | — | EP | disclosed |
| EP-1481960-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-HALOGENO- CARBOXYLIC ACIDS | KANEKA CORPORATION (JP) | 2004-12-01 | — | — | EP | disclosed |
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| US-4199346-A | Herbicides based on 2-dibenzofuranyloxyalkanecarboxylic acid derivatives | AMERICAN HOECHST CORPORATION (US) | 1980-04-22 | — | — | US | disclosed |
| US-3975432-A | Process for preparing 2-(6-methoxy-2-naphthyl)propionic acid | SYNTEX CORPORATION (PM) | 1976-08-17 | — | — | US | disclosed |