⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3043 | 0.96 | — | — | |
| SCHEMBL2398125 | 0.96 | BRD4 (0.43) | — | |
| Fluoride SCHEMBL28881930 | 0.93 | BRD4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9336582 | 0.93 | — | — | |
| SCHEMBL27822918 | 0.93 | — | — | |
| Lithium SCHEMBL31009372 | 0.93 | — | — | |
| Water SCHEMBL3778195 | 0.93 | — | — | |
| Fluoride SCHEMBL6368967 | 0.93 | BRD4 (0.41) | — | |
| Fluoride SCHEMBL15910775 | 0.93 | — | — | |
| Ethane SCHEMBL28172818 | 0.93 | BRD4 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104956511-B | Charge-transporting varnish | 日产化学工业株式会社 | 2018-10-30 | — | — | CN | disclosed |
| CN-107090110-A | Pneumatic tire and the method for manufacturing pneumatic tire | 住友橡胶工业株式会社 | 2017-08-25 | — | — | CN | disclosed |
| CN-107090111-A | Pneumatic tire | 住友橡胶工业株式会社 | 2017-08-25 | — | — | CN | disclosed |