⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15079183 | 0.77 | — | — | |
| SCHEMBL22567195 | 0.76 | — | — | |
| SCHEMBL19741565 | 0.73 | — | — | |
| SCHEMBL24819993 | 0.71 | — | — | |
| SCHEMBL18754521 | 0.69 | — | — | |
| SCHEMBL22180762 | 0.69 | — | — | |
| SCHEMBL24184252 | 0.67 | — | — | |
| SCHEMBL20257456 | 0.67 | — | — | |
| SCHEMBL15833947 | 0.65 | — | — | |
| SCHEMBL13075976 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022108919-A1 | PROBES, SYSTEMS, AND METHODS FOR MAGNETIC RESONANCE PH SENSING | THE GENERAL HOSPITAL CORPORATION (US) | 2022-05-27 | — | — | WO | disclosed |
| WO-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |
| US-20160244435-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-08-25 | — | — | US | disclosed |
| US-20140213538-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-31 | — | — | US | disclosed |
| US-20140200215-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-17 | — | — | US | disclosed |
| US-7425642-B2 | Heteroaryl derivative | DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) | 2008-09-16 | — | — | US | disclosed |