⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28708501 | 1.00 | — | — | |
| SCHEMBL49978 | 1.00 | — | — | |
| Phosphoric Acid SCHEMBL1399081 | 0.91 | MEN1 (0.56) | — | |
| SCHEMBL176290 | 0.91 | MEN1 (0.56) | — | |
| Pentane SCHEMBL7772281 | 0.89 | MEN1 (0.54) | — | |
| SCHEMBL8533026 | 0.87 | KMT2A (0.67) | — | |
| SCHEMBL27684618 | 0.86 | MEN1 (0.50) | — | |
| SCHEMBL1399165 | 0.86 | PTGS1 (0.58) | — | |
| SCHEMBL146290 | 0.82 | — | — | |
| SCHEMBL16130066 | 0.81 | MEN1 (0.74) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130281387-A1 | Chemosensory Receptor Ligand-Based Therapies | ELCELYX THERAPEUTICS, INC. (US) | 2013-10-24 | — | — | US | disclosed |
| US-20120238540-A1 | AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 | MYREXIS, INC. (US) | 2012-09-20 | — | — | US | disclosed |
| WO-2012054528-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |