⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1163701 | 0.79 | — | — | |
| SCHEMBL29372810 | 0.72 | — | — | |
| SCHEMBL155314 | 0.72 | — | — | |
| SCHEMBL31752568 | 0.70 | ENPP3 (0.34) | — | |
| SCHEMBL850260 | 0.68 | — | — | |
| SCHEMBL8983550 | 0.68 | — | — | |
| SCHEMBL810771 | 0.68 | — | — | |
| SCHEMBL4842252 | 0.68 | — | — | |
| SCHEMBL581736 | 0.68 | — | — | |
| SCHEMBL15543150 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104447572-A | Method for preparing macitentan | NANJING NMG ADDS CO LTD | 2015-03-25 | — | — | CN | disclosed |
| US-8334292-B1 | Pyrimidine compounds and methods of making and using same | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2012-12-18 | — | — | US | disclosed |
| US-8324220-B2 | Pyrimidines useful as modulators of voltage-gated ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-04 | — | — | US | disclosed |
| US-20110003814-A1 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-06 | — | — | US | disclosed |
| US-7816529-B2 | Pyrimidines useful as modulators of voltage-gated ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-19 | — | — | US | disclosed |
| EP-1638955-A2 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2006-03-29 | — | — | EP | disclosed |
| US-20050049247-A1 | Pyrimidines useful as modulators of voltage-gated ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2005-03-03 | — | — | US | disclosed |
| WO-2005003099-A2 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-01-13 | — | — | WO | disclosed |