⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4413153 | 1.00 | — | — | |
| SCHEMBL29525585 | 1.00 | — | — | |
| SCHEMBL29525266 | 1.00 | — | — | |
| SCHEMBL13607589 | 1.00 | — | — | |
| SCHEMBL14993672 | 1.00 | — | — | |
| SCHEMBL5868615 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10515876 | 0.80 | GBA1 (0.34) | — | |
| SCHEMBL462864 | 0.79 | — | — | |
| SCHEMBL505753 | 0.79 | — | — | |
| SCHEMBL1313595 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230348475-A1 | IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 | TRANSLATIONAL GENOMICS RES INST (US) | 2023-11-02 | — | — | US | disclosed |
| WO-2021124279-A1 | COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS | NUEVOLUTION A/S (DK) | 2021-06-24 | — | — | WO | disclosed |
| US-7638535-B2 | (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-12-29 | — | — | US | disclosed |
| US-7635706-B2 | 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity | JANSSEN PHARMACEUTICA NV (BE) | 2009-12-22 | — | — | US | disclosed |
| US-20070032486-A1 | 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides | JANSSEN PHARMACEUTICA NV (BE) | 2007-02-08 | — | — | US | disclosed |
| US-20070032486-A1 | 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides | JANSSEN PHARMACEUTICA NV (BE) | 2007-02-08 | — | — | US | disclosed |