⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28085440 | 0.84 | — | — | |
| SCHEMBL14943103 | 0.67 | — | — | |
| SCHEMBL14018483 | 0.67 | — | — | |
| SCHEMBL24743780 | 0.65 | — | — | |
| SCHEMBL27661124 | 0.65 | — | — | |
| SCHEMBL22264961 | 0.63 | — | — | |
| SCHEMBL28150095 | 0.62 | — | — | |
| SCHEMBL31462360 | 0.60 | — | — | |
| SCHEMBL28012605 | 0.59 | — | — | |
| SCHEMBL9977638 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4249025-A | WITH POLYMERIZATION INHIBITOR | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1981-02-03 | — | — | US | claimed |
| US-9790428-B2 | Piperidine derivative, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-10-17 | — | — | US | disclosed |
| US-9790428-B2 | Piperidine derivative, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-10-17 | — | — | US | disclosed |
| EP-3184526-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR | Incyte Holdings Corporation (US) | 2017-06-28 | — | — | EP | disclosed |
| US-20170158961-A1 | PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2017-06-08 | — | — | US | disclosed |
| US-20170158961-A1 | PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2017-06-08 | — | — | US | disclosed |
| US-4598096-A | 1-METHOXY-1,3,5-CYCLOHEPTATRIENE | GRANT GEORGE A (CA) | 1986-07-01 | — | — | US | disclosed |
| US-4249025-A | WITH POLYMERIZATION INHIBITOR | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1981-02-03 | — | — | US | disclosed |