⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7238912 | 0.88 | — | — | |
| SCHEMBL5179153 | 0.74 | — | — | |
| SCHEMBL313459 | 0.74 | — | — | |
| SCHEMBL6688544 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9845878 | 0.72 | FAAH (0.44) | — | |
| SCHEMBL5178461 | 0.72 | — | — | |
| SCHEMBL844037 | 0.72 | — | — | |
| SCHEMBL11488997 | 0.70 | FAAH (0.38) | — | |
| SCHEMBL9303793 | 0.69 | — | — | |
| SCHEMBL9303780 | 0.67 | — | — |
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-8518928-B2 | Therapeutic compounds | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2013-08-27 | — | — | US | disclosed |
| US-8518928-B2 | Therapeutic compounds | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2013-08-27 | — | — | US | disclosed |
| US-20120071527-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-22 | — | — | US | disclosed |
| US-20120071527-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-22 | — | — | US | disclosed |
| US-8093235-B2 | Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-01-10 | — | — | US | disclosed |
| US-8093235-B2 | Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-01-10 | — | — | US | disclosed |
| US-20090156627-A1 | THERAPEUTIC COMPOUNDS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-06-18 | — | — | US | disclosed |
| US-20090156627-A1 | THERAPEUTIC COMPOUNDS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-06-18 | — | — | US | disclosed |
| CN-1117991-C | (Co) polymer containing sulphur, (thio-) ether and its use | MITSUI CHEMICALS INC (JP) | 2003-08-13 | — | — | CN | disclosed |
| CN-1250060-A | (Co) polymer containing sulphur, (thio-) ether and its use | MITSUI CHEMICALS INC (JP) | 2000-04-12 | — | — | CN | disclosed |
| EP-0445467-A1 | Renin inhibitors and antiviral agents | Beecham Group p.l.c. (GB) | 1991-09-11 | — | — | EP | disclosed |
| US-3947469-A | PROSTAGLANDIN INTERMEDIATES | RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) | 1976-03-30 | — | — | US | disclosed |