⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4726387 | 0.78 | — | — | |
| SCHEMBL5803814 | 0.76 | — | — | |
| SCHEMBL205040 | 0.76 | — | — | |
| SCHEMBL4912594 | 0.74 | — | — | |
| SCHEMBL717594 | 0.71 | GAA (0.42) | — | |
| SCHEMBL17036818 | 0.69 | RAB9A (0.32) | — | |
| SCHEMBL10755499 | 0.69 | GAA (0.42) | — | |
| SCHEMBL28358159 | 0.68 | ALDH1A1 (0.48) | — | |
| SCHEMBL8588543 | 0.67 | HCAR2 (0.50) | — | |
| SCHEMBL84299 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786079-B2 | Substituted nonadepsipeptides | AICURIS GMBH & CO. KG. (DE) | 2010-08-31 | — | — | US | disclosed |
| EP-1809653-B1 | SUBSTITUTED NONADEPSIPEPTIDES | AICURIS GMBH & CO KG (DE) | 2010-01-20 | — | — | EP | disclosed |
| US-20080058251-A1 | Substituted nonadepsipeptides | BAYER HEALTHCARE AG (DE) | 2008-03-06 | — | — | US | disclosed |
| CN-1071746-C | Amidine derivatives with nitric oxide synthetase activities | ASTERA CO (SE) | 2001-09-26 | — | — | CN | disclosed |
| CN-1162310-A | Bicyclic amidine derivatives used in therapy | ASTRA AB (SE) | 1997-10-15 | — | — | CN | disclosed |
| CN-1132505-A | Amidine derivatives with nitric oxide synthetase activities | ASTERA CO (SE) | 1996-10-02 | — | — | CN | disclosed |