⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30843730 | 0.81 | — | — | |
| SCHEMBL23884014 | 0.75 | — | — | |
| SCHEMBL9769099 | 0.74 | — | — | |
| SCHEMBL17586690 | 0.67 | — | — | |
| SCHEMBL19625145 | 0.64 | — | — | |
| SCHEMBL31526597 | 0.63 | — | — | |
| SCHEMBL30785284 | 0.63 | — | — | |
| SCHEMBL16635972 | 0.63 | — | — | |
| SCHEMBL13818120 | 0.62 | APLNR (0.32) | — | |
| SCHEMBL449125 | 0.60 | CHRNB2 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159502-A1 | INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED | 2023-05-25 | — | — | US | disclosed |
| WO-2023069544-A1 | 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2023-04-27 | — | — | WO | disclosed |
| CN-115916748-A | Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) | 弗特克斯药品有限公司 | 2023-04-04 | — | — | CN | disclosed |
| EP-4132908-A1 | INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | Vertex Pharmaceuticals Incorporated (US) | 2023-02-15 | — | — | EP | disclosed |
| WO-2021203023-A1 | INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |
| US-9688669-B2 | Oxazolidinones as modulators of mGluR5 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-06-27 | — | — | US | disclosed |
| US-9688669-B2 | Oxazolidinones as modulators of mGluR5 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-06-27 | — | — | US | disclosed |
| US-20160237072-A1 | OXAZOLIDINONES AS MODULATORS OF MGLUR5 | BRISTOL MYERS SQUIBB CO (US) | 2016-08-18 | — | — | US | disclosed |
| US-20160237072-A1 | OXAZOLIDINONES AS MODULATORS OF MGLUR5 | BRISTOL MYERS SQUIBB CO (US) | 2016-08-18 | — | — | US | disclosed |
| EP-3055306-A1 | OXAZOLIDINONES AS MODULATORS OF MGLUR5 | Bristol-Myers Squibb Company (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054103-A1 | OXAZOLIDINONES AS MODULATORS OF MGLUR5 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-04-16 | — | — | WO | disclosed |
| WO-2015054103-A1 | OXAZOLIDINONES AS MODULATORS OF MGLUR5 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-04-16 | — | — | WO | disclosed |