⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4014867 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9847517 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL31268132 | 0.75 | — | — | |
| SCHEMBL5586206 | 0.74 | — | — | |
| SCHEMBL610328 | 0.74 | — | — | |
| SCHEMBL19343233 | 0.72 | — | — | |
| SCHEMBL3439164 | 0.69 | — | — | |
| SCHEMBL8463482 | 0.69 | — | — | |
| SCHEMBL988689 | 0.69 | — | — | |
| SCHEMBL24224 | 0.69 | — | — |
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-0931082-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 1999-11-17 | — | — | EP | claimed |
| EP-0931082-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (a New Jersey corp.) (US) | 1999-07-28 | — | — | EP | claimed |
| WO-1998012196-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1998-03-26 | — | — | WO | claimed |
| EP-2627649-A1 | CXCR4 RECEPTOR ANTAGONISTS | Proximagen Limited (GB) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012049277-A1 | CXCR4 RECEPTOR ANTAGONISTS | PROXIMAGEN LTD (GB) | 2012-04-19 | — | — | WO | disclosed |
| JP-2007324033-A | DISPLAY DEVICE AND ITS MANUFACTURING METHOD | CASIO COMPUT CO LTD | 2007-12-13 | — | — | JP | disclosed |
| EP-0931082-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 1999-11-17 | — | — | EP | disclosed |
| EP-0931082-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (a New Jersey corp.) (US) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998012196-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1998-03-26 | — | — | WO | disclosed |