⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3485194 | 1.00 | — | — | |
| SCHEMBL270382 | 1.00 | — | — | |
| Butane SCHEMBL10433974 | 0.97 | TSHR (0.52) | — | |
| SCHEMBL8026999 | 0.97 | — | — | |
| SCHEMBL29109063 | 0.97 | — | — | |
| SCHEMBL13784898 | 0.92 | — | — | |
| SCHEMBL277790 | 0.92 | — | — | |
| SCHEMBL8080117 | 0.92 | — | — | |
| SCHEMBL3844523 | 0.90 | ADH1B (0.54) | — | |
| SCHEMBL16350215 | 0.90 | ADH1B (0.54) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170281627-A1 | TOLL LIKE RECEPTOR MODULATOR COMPOUNDS | GILEAD SCIENCES, INC. | 2017-10-05 | — | — | US | disclosed |
| US-9670205-B2 | Toll like receptor modulator compounds | GILEAD SCIENCES, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| US-20160289229-A1 | TOLL LIKE RECEPTOR MODULATOR COMPOUNDS | GILEAD SCIENCES, INC. | 2016-10-06 | — | — | US | disclosed |
| US-20100155649-A1 | MOLECULE-BASED MAGNETIC POLYMERS AND METHODS | THE UNIVERSITY OF AKRON (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100003732-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE | KANEKA CORPORATION (JP) | 2010-01-07 | — | — | US | disclosed |
| US-7618626-B2 | Combination treatment for non-hematologic malignancies | PFIZER INC (US) | 2009-11-17 | — | — | US | disclosed |
| EP-1887085-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE | Kaneka Corporation (JP) | 2008-02-13 | — | — | EP | disclosed |
| EP-0751927-A4 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INST OF TECHN (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0751927-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5488131-A | Synthesis of compounds with predetermined chirality | CALIFORNIA INSTITUTE OF TECHNOLOGY | 1996-01-30 | — | — | US | disclosed |
| WO-1995025714-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1995-09-28 | — | — | WO | disclosed |