⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11861314 | 1.00 | — | — | |
| SCHEMBL506951 | 0.87 | — | — | |
| SCHEMBL3477381 | 0.87 | — | — | |
| SCHEMBL7172268 | 0.87 | — | — | |
| SCHEMBL6898068 | 0.87 | — | — | |
| SCHEMBL13720141 | 0.87 | — | — | |
| SCHEMBL184759 | 0.87 | — | — | |
| SCHEMBL8061766 | 0.87 | — | — | |
| SCHEMBL16335886 | 0.87 | — | — | |
| SCHEMBL425 | 0.87 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104884382-A | Hydrogen storage pellet | CELLA ENERGY LTD | 2015-09-02 | — | — | CN | claimed |
| EP-0983237-B1 | CHEMICAL PROCESS FOR THE REDUCTION OF 1-SUBSTITUTED -3-HYDROXYMETHYL-4- (4-FLUOROPHENYL)TETRAHYDROPYRIDINES | BASF AG (DE) | 2002-01-16 | — | — | EP | disclosed |
| US-6326496-B1 | REDUCTION WITH METAL HYDRIDE | KNOLL AKTIENGESELLSCHAFT (DE) | 2001-12-04 | — | — | US | disclosed |
| EP-0983237-A1 | CHEMICAL PROCESS FOR THE REDUCTION OF 1-SUBSTITUTED -3-HYDROXYMETHYL-4- (4-FLUOROPHENYL)TETRAHYDROPYRIDINES | KNOLL AKTIENGESELLSCHAFT (DE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052920-A1 | CHEMICAL PROCESS FOR THE REDUCTION OF 1-SUBSTITUTED -3-HYDROXYMETHYL-4- (4-FLUOROPHENYL)TETRAHYDROPYRIDINES | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-11-26 | — | — | WO | disclosed |
| US-3940474-A | ALUMINUM HYDRIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1976-02-24 | — | — | US | disclosed |
| US-3849542-A | LITHIUM MAGNESIUM ALUMINUM HYDRIDE | DOW CHEMICAL CO | 1974-11-19 | — | — | US | disclosed |