⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2516273 | 0.82 | — | — | |
| SCHEMBL18547804 | 0.82 | — | — | |
| SCHEMBL8386306 | 0.81 | — | — | |
| Histidinol SCHEMBL65205 | 0.81 | — | — | |
| SCHEMBL14005717 | 0.81 | HTR2A (0.37) | — | |
| SCHEMBL6336321 | 0.81 | — | — | |
| Histidinol SCHEMBL1580900 | 0.81 | — | — | |
| SCHEMBL11083019 | 0.81 | — | — | |
| Histidinol SCHEMBL65204 | 0.81 | — | — | |
| SCHEMBL11074851 | 0.81 | — | — |
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-5582817-A | ORGANOZINC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-12-10 | — | — | US | claimed |
| EP-0583479-A1 | REMEDY FOR DERMATOPATHY AND METALLOTHIONEIN INDUCER | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-02-23 | — | — | EP | claimed |
| US-5582817-A | ORGANOZINC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-12-10 | — | — | US | disclosed |