⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11192907 | 1.00 | — | — | |
| Butane SCHEMBL11884811 | 0.95 | TSHR (0.46) | — | |
| SCHEMBL7314832 | 0.78 | — | — | |
| SCHEMBL7731448 | 0.78 | — | — | |
| SCHEMBL9407567 | 0.78 | — | — | |
| SCHEMBL27504316 | 0.77 | — | — | |
| Methylamine SCHEMBL3717969 | 0.77 | TSHR (0.50) | — | |
| Methylamine SCHEMBL27626798 | 0.77 | — | — | |
| Hydrazine SCHEMBL11322513 | 0.77 | — | — | |
| Phosphoramidic Acid SCHEMBL220944 | 0.76 | CA2 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085648-A9 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2013-03-21 | — | — | WO | disclosed |
| WO-2012085648-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-06-28 | — | — | WO | disclosed |