⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12640810 | 1.00 | — | — | |
| SCHEMBL10229691 | 0.78 | — | — | |
| SCHEMBL19661047 | 0.76 | — | — | |
| SCHEMBL13515525 | 0.76 | — | — | |
| SCHEMBL18386520 | 0.74 | — | — | |
| SCHEMBL12831252 | 0.73 | — | — | |
| SCHEMBL10782085 | 0.71 | — | — | |
| SCHEMBL17029292 | 0.71 | — | — | |
| SCHEMBL12640847 | 0.71 | — | — | |
| SCHEMBL24849584 | 0.70 | ALDH1A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016025632-A1 | MOLECULAR AND POLYMERIC SEMICONDUCTORS AND RELATED DEVICES | POLYERA CORPORATION (US) | 2016-02-18 | — | — | WO | disclosed |
| US-20150051268-A1 | METHODS OF INCREASING THE VIABILITY OR LONGEVITY OF AN ORGAN OR ORGAN EXPLANT | MODERNATX, INC. | 2015-02-19 | — | — | US | disclosed |
| WO-2014144169-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2014-09-18 | — | — | WO | disclosed |
| US-20140179664-A1 | Heterocyclyl Pyrimidine Analogues As JAK Inhibitors | CELLZOME LIMITED (GB) | 2014-06-26 | — | — | US | disclosed |
| EP-2623104-A1 | Substituted nucleoside and nucleotide analogs | Alios Biopharma, Inc. (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2013112950-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2013-08-01 | — | — | WO | disclosed |
| WO-2013074059-A2 | CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2013-05-23 | — | — | WO | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| US-7919473-B2 | IRNA agents targeting VEGF | ALNYLAM PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |