⚠ 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 SCHEMBL11603921 | 0.98 | ALDH1A1 (0.40) | — | |
| SCHEMBL29511968 | 0.87 | TSHR (0.30) | — | |
| Hydrochloric Acid SCHEMBL9835591 | 0.81 | HSD17B10 (0.33) | — | |
| SCHEMBL29778054 | 0.80 | GAA (0.35) | — | |
| SCHEMBL3294214 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11604566 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL6866993 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL2637750 | 0.76 | — | — | |
| Succinic Acid SCHEMBL3081988 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL27846484 | 0.74 | TSHR (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173472-A1 | CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000064927-A1 | CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-02 | — | — | WO | disclosed |