⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL811081 | 0.74 | NPC1 (0.55) | — | |
| SCHEMBL28233860 | 0.70 | — | — | |
| SCHEMBL3261915 | 0.70 | — | — | |
| SCHEMBL28852187 | 0.69 | CYP2C19 (0.47) | — | |
| Hydrochloric Acid SCHEMBL27738317 | 0.68 | TP53 (0.35) | — | |
| SCHEMBL16860537 | 0.67 | — | — | |
| SCHEMBL20457279 | 0.67 | — | — | |
| SCHEMBL27293186 | 0.67 | — | — | |
| SCHEMBL28134138 | 0.65 | — | — | |
| SCHEMBL12605596 | 0.65 | ALDH1A1 (0.40) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | claimed |
| EP-3087155-A1 | CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI | Albemarle Corporation (US) | 2016-11-02 | — | — | EP | disclosed |
| US-20160289527-A1 | CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI | ALBEMARLE CORP (US) | 2016-10-06 | — | — | US | disclosed |
| WO-2015100004-A1 | CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI | ALBEMARLE CORPORATION (US) | 2015-07-02 | — | — | WO | disclosed |
| EP-2205573-B1 | TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| CN-101821246-B | Tetrazole-substituted arylamide derivatives and uses thereof | HOFFMANN LA ROCHE | 2013-05-01 | — | — | CN | disclosed |
| US-7981914-B2 | Tetrazole-substituted aryl amide derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2011-07-19 | — | — | US | disclosed |
| CN-101821246-A | Tetrazole-substituted arylamide derivatives and uses thereof | HOFFMANN LA ROCHE | 2010-09-01 | — | — | CN | disclosed |
| WO-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | disclosed |
| US-20090093523-A1 | Tetrazole-substituted aryl amide derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-04-09 | — | — | US | disclosed |