⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9057141 | 0.97 | CXCR4 (0.33) | — | |
| SCHEMBL2760572 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8327945 | 0.80 | — | — | |
| SCHEMBL1405766 | 0.67 | — | — | |
| SCHEMBL11078599 | 0.67 | — | — | |
| SCHEMBL89257 | 0.67 | — | — | |
| SCHEMBL336077 | 0.67 | OR51E2 (0.50) | — | |
| SCHEMBL88947 | 0.67 | — | — | |
| SCHEMBL8096949 | 0.67 | — | — | |
| SCHEMBL19869150 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | claimed |
| EP-2228375-A1 | New xanthin derivatives, their production and utilisation as medicine | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2010-09-15 | — | — | EP | disclosed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |