⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29039504 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL23180523 | 0.78 | KDM4E (0.46) | — | |
| SCHEMBL97236 | 0.78 | — | — | |
| SCHEMBL5365359 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL13650702 | 0.77 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11001835 | 0.76 | — | — | |
| SCHEMBL6633417 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL20903255 | 0.75 | KDM4E (0.43) | — | |
| SCHEMBL6638050 | 0.75 | CYP2D6 (0.41) | — | |
| SCHEMBL5691924 | 0.75 | ALDH1A1 (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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021252644-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2021-12-16 | — | — | WO | disclosed |
| US-20180030035-A1 | AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY | COMPOUND HANDLING B.V. (NL) | 2018-02-01 | — | — | US | disclosed |
| US-9790205-B2 | Aminomethylene pyrazolones with therapeutic activity | COMPOUND HANDLING B.V. (NL) | 2017-10-17 | — | — | US | disclosed |
| US-9790205-B2 | Aminomethylene pyrazolones with therapeutic activity | COMPOUND HANDLING B.V. (NL) | 2017-10-17 | — | — | US | disclosed |
| US-20170240531-A1 | AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY | COMPOUND HANDLING B.V. (NL) | 2017-08-24 | — | — | US | disclosed |
| US-20170240531-A1 | AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY | COMPOUND HANDLING B.V. (NL) | 2017-08-24 | — | — | US | disclosed |
| US-9676764-B2 | Aminomethylene pyrazolones with therapeutic activity | COMPOUND HANDLING B.V. (NL) | 2017-06-13 | — | — | US | disclosed |
| US-9676764-B2 | Aminomethylene pyrazolones with therapeutic activity | COMPOUND HANDLING B.V. (NL) | 2017-06-13 | — | — | US | disclosed |
| US-20160326152-A1 | AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY | COMPOUND HANDLING B.V. (NL) | 2016-11-10 | — | — | US | disclosed |
| US-20160326152-A1 | AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY | COMPOUND HANDLING B.V. (NL) | 2016-11-10 | — | — | US | disclosed |
| US-9453012-B2 | Aminomethylene pyrazolones with therapeutic activity | COMPOUND HANDLING B.V. (NL) | 2016-09-27 | — | — | US | disclosed |
| US-9453012-B2 | Aminomethylene pyrazolones with therapeutic activity | COMPOUND HANDLING B.V. (NL) | 2016-09-27 | — | — | US | disclosed |
| US-20150073019-A1 | AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY | SPECS COMPOUND HANDLING B.V. (NL) | 2015-03-12 | — | — | US | disclosed |
| US-20150073019-A1 | AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY | SPECS COMPOUND HANDLING B.V. (NL) | 2015-03-12 | — | — | US | disclosed |
| WO-2009152458-A1 | LIQUID FORMULATION SUITABLE FOR INFUSION COMPRISING AN ADENOSINE RECEPTOR ANTAGONIST FOR TREATING HEART FAILURE AND RENAL INSUFFICIENCY. | BIOGEN IDEC MA INC. (US) | 2009-12-17 | — | — | WO | disclosed |