⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2302547 | 0.94 | CYP2C19 (0.36) | — | |
| SCHEMBL22261571 | 0.92 | CYP2C19 (0.39) | — | |
| SCHEMBL932855 | 0.92 | CYP2C19 (0.39) | — | |
| SCHEMBL1474791 | 0.88 | — | — | |
| SCHEMBL10332169 | 0.81 | — | — | |
| SCHEMBL6105901 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL8768141 | 0.76 | — | — | |
| SCHEMBL10002492 | 0.76 | USP2 (0.32) | — | |
| SCHEMBL4590215 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL14433355 | 0.72 | FFAR3 (0.31) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4097665-A | Diacylnucleosides and process for preparing the same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-06-27 | — | — | US | claimed |
| US-20230339915-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-10-26 | — | — | US | disclosed |
| US-20230339915-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-10-26 | — | — | US | disclosed |
| EP-1856114-B1 | BENZISOXAZOLE DERIVATIVES | PFIZER (US) | 2014-08-20 | — | — | EP | disclosed |
| EP-2638006-A1 | HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | Achaogen, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012154204-A1 | HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | ACHAOGEN, INC. (US) | 2012-11-15 | — | — | WO | disclosed |
| EP-1856114-A1 | BENZISOXAZOLE DERIVATIVES | Pfizer, Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| US-7125887-B2 | Pyrrolidine modulators of CCR5 chemokine receptor activity | MERCK & CO., INC. (US) | 2006-10-24 | — | — | US | disclosed |
| WO-2006090224-A1 | BENZISOXAZOLE DERIVATIVES | PFIZER JAPAN INC. (JP) | 2006-08-31 | — | — | WO | disclosed |
| US-20040087552-A1 | Pyrrolidine modulators of ccr5 chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2004-05-06 | — | — | US | disclosed |
| EP-1326619-A2 | PYRROLIDINE MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| US-20020094989-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | HALE JEFFREY J (US) | 2002-07-18 | — | — | US | disclosed |
| WO-2002034716-A2 | PYRROLIDINE MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2002-05-02 | — | — | WO | disclosed |
| US-4097665-A | Diacylnucleosides and process for preparing the same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-06-27 | — | — | US | disclosed |