⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5574 | 0.95 | — | — | |
| SCHEMBL28129545 | 0.95 | CYP2D6 (0.54) | — | |
| SCHEMBL4284210 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL7805756 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3062035 | 0.91 | — | — | |
| SCHEMBL23304291 | 0.91 | — | — | |
| Iodide SCHEMBL7460413 | 0.91 | CYP2D6 (0.50) | — | |
| Methane SCHEMBL18173817 | 0.91 | — | — | |
| SCHEMBL28172438 | 0.91 | — | — | |
| Cyclohexane SCHEMBL17492352 | 0.89 | CYP2D6 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3004082-A1 | CXCR7 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014191929-A1 | CXCR7 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-12-04 | — | — | WO | disclosed |
| US-6429282-B1 | MIXING PRIMARY AND SECONDARY AMINES WITH EMERALDINE BASE POLYANILINE; STORAGE STABILITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-08-06 | — | — | US | disclosed |