⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15601882 | 1.00 | — | — | |
| SCHEMBL10137511 | 1.00 | — | — | |
| SCHEMBL835908 | 1.00 | — | — | |
| SCHEMBL25544661 | 1.00 | — | — | |
| SCHEMBL12423754 | 1.00 | — | — | |
| SCHEMBL13841205 | 1.00 | — | — | |
| SCHEMBL6913407 | 1.00 | — | — | |
| SCHEMBL6909061 | 0.97 | ACE (0.42) | — | |
| SCHEMBL6916430 | 0.97 | ACE (0.42) | — | |
| SCHEMBL6916356 | 0.97 | ACE (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159580-A1 | PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED | 2023-05-25 | — | — | US | disclosed |
| WO-2021203010-A1 | PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |
| US-9802949-B2 | Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2017-10-31 | — | — | US | disclosed |
| US-20150307509-A1 | FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-10-29 | — | — | US | disclosed |
| US-20130053352-A1 | DIAZENIUMDIOLATE CYCLOPENTYL DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | US | disclosed |