⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9745455 | 1.00 | — | — | |
| SCHEMBL14030614 | 0.78 | — | — | |
| SCHEMBL8617997 | 0.78 | — | — | |
| SCHEMBL8618000 | 0.78 | — | — | |
| SCHEMBL17142340 | 0.76 | — | — | |
| SCHEMBL13227971 | 0.76 | — | — | |
| SCHEMBL26963225 | 0.76 | CYP2D6 (0.50) | — | |
| SCHEMBL21086885 | 0.76 | — | — | |
| SCHEMBL22996014 | 0.74 | CTH (0.42) | — | |
| SCHEMBL9468613 | 0.74 | CTH (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102439771-B | Porous conductive active composite electrode for lithium ion battery | HONGKONG APPLIED SCIENCE AND TECHNOLOGY RES INST | 2014-04-09 | — | — | CN | disclosed |
| CN-102439771-A | Porous conductive active composite electrode for lithium ion battery | HONGKONG APPLIED SCIENCE AND TECHNOLOGY RES INST | 2012-05-02 | — | — | CN | disclosed |
| US-5175344-A | Anticonvulsants, anxiolytic agents | CIBA-GEIGY CORPORATION (US) | 1992-12-29 | — | — | US | disclosed |
| US-5051413-A | For treatment of ischemia, antispasmodic agents, anticonvulsants and anxiety or manic conditions | CIBA-GEIGY CORPORATION (US) | 1991-09-24 | — | — | US | disclosed |