⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL99231 | 0.96 | — | — | |
| SCHEMBL28195973 | 0.96 | ALDH1A1 (0.47) | — | |
| SCHEMBL7702357 | 0.92 | — | — | |
| SCHEMBL7702355 | 0.92 | — | — | |
| Methane SCHEMBL28016384 | 0.92 | — | — | |
| SCHEMBL7702370 | 0.92 | — | — | |
| SCHEMBL5224515 | 0.92 | — | — | |
| Potassium Ion SCHEMBL7702367 | 0.92 | — | — | |
| SCHEMBL30731544 | 0.92 | — | — | |
| Lithium Ion SCHEMBL5224511 | 0.92 | — | — |
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-1037873-B1 | METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES | CONSORTIUM ELEKTROCHEM IND (DE) | 2001-08-22 | — | — | EP | claimed |
| US-6211410-B1 | PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST | Consortium für elektrochemische Industrie GmbH (DE) | 2001-04-03 | — | — | US | claimed |
| CN-118090949-A | Method for determining product in reaction liquid for preparing 2-NP by catalytic ammoxidation | 河北旭阳能源有限公司 | 2024-05-28 | — | — | CN | disclosed |
| US-6211410-B1 | PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST | Consortium für elektrochemische Industrie GmbH (DE) | 2001-04-03 | — | — | US | disclosed |