⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6680227 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL4559671 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL3360719 | 0.75 | — | — | |
| SCHEMBL1582610 | 0.72 | — | — | |
| SCHEMBL6682309 | 0.67 | — | — | |
| SCHEMBL7291798 | 0.65 | HRH4 (0.37) | — | |
| SCHEMBL3358931 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL6841836 | 0.64 | — | — | |
| SCHEMBL3153309 | 0.64 | — | — | |
| SCHEMBL9572593 | 0.64 | HRH4 (0.39) | — |
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-6884868-B1 | Cyclic hexapeptides having antibiotic activity | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-04-26 | — | — | US | claimed |
| EP-1173472-A1 | CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-23 | — | — | EP | claimed |
| WO-2000064927-A1 | CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-02 | — | — | WO | claimed |