⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26947095 | 0.97 | — | — | |
| SCHEMBL7548179 | 0.84 | — | — | |
| SCHEMBL18027589 | 0.84 | — | — | |
| SCHEMBL4196095 | 0.84 | — | — | |
| SCHEMBL18027543 | 0.84 | — | — | |
| SCHEMBL4570492 | 0.84 | — | — | |
| SCHEMBL15524499 | 0.84 | — | — | |
| SCHEMBL15524497 | 0.84 | — | — | |
| SCHEMBL2849077 | 0.84 | — | — | |
| SCHEMBL3974758 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574412-A | Polyimide prepared based on diamino triptycene and derivatives thereof and used for gas separation and preparation method thereof | 天津工业大学 | 2021-03-30 | — | — | CN | claimed |
| CN-112521605-A | Polyimide for gas separation prepared based on halogen atom substituted diamino triptycene and derivatives thereof and preparation method thereof | 天津工业大学 | 2021-03-19 | — | — | CN | claimed |