⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL418046 | 1.00 | — | — | |
| SCHEMBL3544133 | 1.00 | — | — | |
| SCHEMBL183673 | 1.00 | — | — | |
| SCHEMBL3542055 | 1.00 | — | — | |
| SCHEMBL3543735 | 1.00 | — | — | |
| Methane SCHEMBL18695290 | 0.97 | — | — | |
| SCHEMBL5084611 | 0.97 | — | — | |
| SCHEMBL21056142 | 0.97 | — | — | |
| SCHEMBL3951830 | 0.91 | ALDH1A1 (0.44) | — | |
| SCHEMBL1155 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2683352-A2 | SMALL MOLECULE MODULATORS OF THE COLD AND MENTHOL RECEPTOR TRPM8 | B.R.A.I.N. Biotechnology Research And Information Network AG (DE) | 2014-01-15 | — | — | EP | disclosed |
| EP-2654751-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | Purdue Pharma L.P. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085648-A9 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2013-03-21 | — | — | WO | disclosed |
| EP-1854792-B1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2012-12-26 | — | — | EP | disclosed |
| WO-2012120099-A2 | SMALL MOLECULE MODULATORS OF THE COLD AND MENTHOL RECEPTOR TRPM8 | B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) | 2012-09-13 | — | — | WO | disclosed |
| WO-2012085648-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-06-28 | — | — | WO | disclosed |
| US-7820693-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-10-26 | — | — | US | disclosed |
| US-20090030195-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1854792-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-11-14 | — | — | EP | disclosed |