⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5899076 | 0.82 | EGLN3 (0.55) | — | |
| SCHEMBL1178749 | 0.78 | — | — | |
| SCHEMBL22234928 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1375589 | 0.78 | EGLN3 (0.62) | — | |
| SCHEMBL5746694 | 0.78 | — | — | |
| Bromide SCHEMBL6984871 | 0.78 | EGLN3 (0.62) | — | |
| Bromide SCHEMBL6984866 | 0.77 | EGLN3 (0.60) | — | |
| SCHEMBL20573032 | 0.77 | EGLN3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL28028523 | 0.77 | EGLN3 (0.50) | — | |
| SCHEMBL22234971 | 0.75 | EGLN3 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1102789-A1 | MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM | Menarini Ricerche S.p.A. (IT) | 2001-05-30 | — | — | EP | disclosed |
| EP-1100852-A1 | IMPROVED INK JET INK COMPOSITIONS | Kimberly-Clark Worldwide, Inc. (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000059620-A1 | IMPROVED SURFACTANT AND INK JET INK COMPOSITIONS CONTAINING THE SAME | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000008046-A1 | MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM | MENARINI RICERCHE S.P.A. (IT) | 2000-02-17 | — | — | WO | disclosed |
| WO-2000004104-A1 | IMPROVED INK JET INK COMPOSITIONS | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2000-01-27 | — | — | WO | disclosed |