⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL934084 | 0.88 | MAPK1 (0.61) | — | |
| SCHEMBL1096051 | 0.79 | KCNH2 (0.36) | — | |
| SCHEMBL10610010 | 0.79 | KCNH2 (0.36) | — | |
| SCHEMBL17966147 | 0.79 | KCNH2 (0.36) | — | |
| SCHEMBL19799174 | 0.79 | KCNH2 (0.36) | — | |
| SCHEMBL7250299 | 0.76 | MAPK1 (0.42) | — | |
| SCHEMBL14922436 | 0.73 | — | — | |
| SCHEMBL6018054 | 0.72 | MAPK1 (0.81) | — | |
| SCHEMBL20906278 | 0.72 | MAPK1 (0.81) | — | |
| SCHEMBL113383 | 0.72 | MAPK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6191272-B1 | CATALYTIC HYDROGENATION OF THE PERCHLORATE IN AQUEOUS SUSPENSION WITH PALLADIUM, RECOVERING CATALYST BY FILTRATION, PASSING FILTRATE OVER ANION EXCHANGE, AND HYDROGENATING PRODUCT TO ENDO-NORTROPINE INTERMEDIATE TO SPASMOLYTICS | DR. ROBERT PFLEGER CHEMISCHE FABRIK, GMBH (DE) | 2001-02-20 | — | — | US | claimed |
| US-6191272-B1 | CATALYTIC HYDROGENATION OF THE PERCHLORATE IN AQUEOUS SUSPENSION WITH PALLADIUM, RECOVERING CATALYST BY FILTRATION, PASSING FILTRATE OVER ANION EXCHANGE, AND HYDROGENATING PRODUCT TO ENDO-NORTROPINE INTERMEDIATE TO SPASMOLYTICS | DR. ROBERT PFLEGER CHEMISCHE FABRIK, GMBH (DE) | 2001-02-20 | — | — | US | disclosed |