⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33634 | 0.96 | — | — | |
| Fluoride SCHEMBL1287873 | 0.92 | — | — | |
| SCHEMBL196722 | 0.92 | MEN1 (0.33) | — | |
| SCHEMBL3215910 | 0.88 | — | — | |
| SCHEMBL9301843 | 0.88 | — | — | |
| SCHEMBL6407710 | 0.87 | — | — | |
| SCHEMBL1271146 | 0.87 | — | — | |
| SCHEMBL709033 | 0.87 | — | — | |
| SCHEMBL3214827 | 0.87 | — | — | |
| SCHEMBL554739 | 0.83 | MEN1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2198869-B1 | TREHALOSE FOR THE TREATMENT OR PREVENTION OF VASOSPASM | NEXT 21 K K (JP) | 2015-09-16 | — | — | EP | disclosed |
| US-8283337-B2 | Therapeutic or prophylactic agent for vasoconstriction | NEXT21 K.K. (JP) | 2012-10-09 | — | — | US | disclosed |
| EP-2198869-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR VASOCONSTRICTION | Next 21 K.K. (JP) | 2010-06-23 | — | — | EP | disclosed |
| US-20100035837-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR VASOCONSTRICTION | NEXT21 K.K. (JP) | 2010-02-11 | — | — | US | disclosed |