⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7042738 | 1.00 | — | — | |
| SCHEMBL7716429 | 0.75 | — | — | |
| SCHEMBL2474911 | 0.64 | — | — | |
| SCHEMBL2995766 | 0.64 | — | — | |
| SCHEMBL193554 | 0.64 | — | — | |
| SCHEMBL17705979 | 0.64 | — | — | |
| SCHEMBL193555 | 0.64 | — | — | |
| SCHEMBL12867306 | 0.64 | — | — | |
| SCHEMBL1170802 | 0.64 | — | — | |
| SCHEMBL8285979 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102675300-A | Lipoic acid-aporphine conjugated compound, medicine composite and usage thereof | SHANGHAI INST MATERIA MEDICA | 2012-09-19 | — | — | CN | claimed |
| CN-102675300-A | Lipoic acid-aporphine conjugated compound, medicine composite and usage thereof | SHANGHAI INST MATERIA MEDICA | 2012-09-19 | — | — | CN | disclosed |
| CN-101845018-B | Non-catechol aporphine compound as well as pharmaceutic composition and application thereof | SHANGHAI INST MATERIA MEDICA | 2012-07-04 | — | — | CN | disclosed |
| CN-101619040-B | Aporphine compound, medicinal composition thereof and application thereof | SHANGHAI INST MATERIA MEDICA | 2012-05-09 | — | — | CN | disclosed |
| CN-101845018-A | Non-catechol aporphine compound as well as pharmaceutic composition and application thereof | SHANGHAI INST MATERIA MEDICA | 2010-09-29 | — | — | CN | disclosed |
| CN-101619040-A | Aporphine compound, medicinal composition thereof and application thereof | SHANGHAI INST MATERIA MEDICA | 2010-01-06 | — | — | CN | disclosed |
| US-20030212116-A1 | Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1243580-A1 | HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nissan Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |