⚠ 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 SCHEMBL3341681 | 0.99 | — | — | |
| SCHEMBL3340001 | 0.87 | MAP3K7 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3336749 | 0.86 | MAP3K7 (0.33) | — | |
| SCHEMBL3337469 | 0.84 | LMNA (0.39) | — | |
| SCHEMBL3338064 | 0.84 | CYP19A1 (0.35) | — | |
| SCHEMBL19123170 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3337001 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL13246853 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL12765185 | 0.83 | HDAC6 (0.36) | — | |
| SCHEMBL2059164 | 0.83 | HDAC6 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2202227-B1 | NOVEL HISTIDINE DERIVATIVE | NIPPON ZOKI PHARMACEUTICAL CO (JP) | 2013-11-20 | — | — | EP | disclosed |
| US-8324261-B2 | Histidine derivatives | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 2012-12-04 | — | — | US | disclosed |
| EP-2202227-A1 | NOVEL HISTIDINE DERIVATIVE | Nippon Zoki Pharmaceutical Co., Ltd. (JP) | 2010-06-30 | — | — | EP | disclosed |
| US-20100152459-A1 | NOVEL HISTIDINE DERIVATIVES | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 2010-06-17 | — | — | US | disclosed |