⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29085886 | 0.97 | — | — | |
| Oxalic Acid SCHEMBL10922022 | 0.75 | MCL1 (0.48) | — | |
| Potassium Ion SCHEMBL1708143 | 0.75 | — | — | |
| SCHEMBL27567423 | 0.73 | MCL1 (0.53) | — | |
| SCHEMBL16130 | 0.73 | — | — | |
| SCHEMBL30022145 | 0.73 | — | — | |
| SCHEMBL30536998 | 0.73 | — | — | |
| SCHEMBL9833581 | 0.73 | — | — | |
| SCHEMBL27412887 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL4641818 | 0.71 | MCL1 (0.50) | — |
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-0500209-B1 | Pesticidal 1-(2-pyridyl)pyrazoles | RHONE POULENC AGROCHIMIE (FR) | 1997-09-17 | — | — | EP | claimed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| CN-109641882-A | Heteroaromatic derivatives as NIK inhibitors | 杨森制药有限公司 | 2019-04-16 | — | — | CN | disclosed |
| WO-2008090379-A1 | PYRAZOLOQUINAZOLINONES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2008-07-31 | — | — | WO | disclosed |
| US-6858616-B2 | Nitrogen containing heterobicycles as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-02-22 | — | — | US | disclosed |
| EP-1140941-B1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-10-20 | — | — | EP | disclosed |
| US-20030069237-A1 | Nitrogen containing heterobicycles as factor Xa inhibitors | FEVIG JOHN M (US) | 2003-04-10 | — | — | US | disclosed |
| EP-1296982-A1 | 1-(HETEROARYL-PHENYL)-CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6506771-B2 | Anticoagulants | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-14 | — | — | US | disclosed |
| US-20020119986-A1 | Heteroaryl- phenyl heterobicyclic factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-08-29 | — | — | US | disclosed |
| US-6413980-B1 | INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-07-02 | — | — | US | disclosed |
| WO-2002000655-A1 | 1 - (HETEROARYL-PHENYL) - CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |
| EP-1140941-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039131-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |