⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL362728 | 1.00 | — | — | |
| SCHEMBL2739667 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30885560 | 0.97 | — | — | |
| SCHEMBL14956926 | 0.76 | ALOX15 (0.43) | — | |
| SCHEMBL15676365 | 0.76 | ALOX15 (0.43) | — | |
| SCHEMBL17541311 | 0.76 | ALOX15 (0.43) | — | |
| SCHEMBL5499011 | 0.75 | — | — | |
| SCHEMBL5501915 | 0.75 | — | — | |
| SCHEMBL362534 | 0.75 | — | — | |
| Aminoserine SCHEMBL277837 | 0.73 | — | — |
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-1863832-B1 | AGE INHIBITORS | CENTRE NAT RECH SCIENT (FR) | 2012-01-04 | — | — | EP | disclosed |
| EP-1100816-B1 | AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE | BASILEA PHARMACEUTICA AG (CH) | 2007-08-08 | — | — | EP | disclosed |
| US-6489440-B1 | Cyclic compounds | BASILEA PHARMACEUTICA AG (CH) | 2002-12-03 | — | — | US | disclosed |