⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14725189 | 1.00 | — | — | |
| SCHEMBL12311713 | 0.83 | — | — | |
| SCHEMBL20999419 | 0.83 | — | — | |
| SCHEMBL18117423 | 0.82 | — | — | |
| SCHEMBL12509930 | 0.82 | — | — | |
| Acetic Acid SCHEMBL5216959 | 0.81 | TGFBR1 (0.48) | — | |
| SCHEMBL19849535 | 0.80 | — | — | |
| SCHEMBL1960483 | 0.80 | — | — | |
| SCHEMBL880552 | 0.80 | — | — | |
| SCHEMBL23475253 | 0.78 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159475-A1 | COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2023-05-25 | — | — | US | disclosed |
| US-20170218085-A1 | SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY | NOVARTIS AG (CH) | 2017-08-03 | — | — | US | disclosed |
| US-9585970-B2 | Site-specific labeling methods and molecules produced thereby | NOVARTIS AG (CH) | 2017-03-07 | — | — | US | disclosed |
| WO-2016050208-A1 | BIO-RELATED SUBSTANCE MODIFIED BY MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE | 厦门赛诺邦格生物科技有限公司 | 2016-04-07 | — | — | WO | disclosed |
| WO-2015200349-A2 | ELASTASE INHIBITORS | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-12-30 | — | — | WO | disclosed |
| WO-2015179823-A2 | LUNG LOCALIZED INHIBITORS OF ALPHA(V)BETA 6 | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-11-26 | — | — | WO | disclosed |
| US-20150104468-A1 | SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY | IRM LLC (BM) | 2015-04-16 | — | — | US | disclosed |
| WO-2015003083-A1 | COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-01-08 | — | — | WO | disclosed |
| US-20140065171-A1 | Site-Specific Labeling Methods and Molecules Produced Thereby | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2014-03-06 | — | — | US | disclosed |