⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18955199 | 0.78 | — | — | |
| SCHEMBL16579802 | 0.76 | BACE1 (0.33) | — | |
| SCHEMBL9460184 | 0.76 | — | — | |
| SCHEMBL5141263 | 0.76 | — | — | |
| SCHEMBL365305 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11228046 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7957510 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1518279 | 0.73 | HRH4 (0.36) | — | |
| SCHEMBL5924432 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4540563 | 0.73 | HRH4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7910611-B2 | Therapeutic agent for restenosis | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2011-03-22 | — | — | US | disclosed |
| US-20100029625-A1 | Therapeutic Agent for Restenosis | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-02-04 | — | — | US | disclosed |
| EP-1908755-A1 | THERAPEUTIC AGENT FOR RESTENOSIS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-04-09 | — | — | EP | disclosed |