⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2354989 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL28858990 | 0.80 | — | — | |
| Pyrrole SCHEMBL27527124 | 0.73 | — | — | |
| Pyrrole SCHEMBL8469974 | 0.71 | INMT (0.30) | — | |
| Pyrrole SCHEMBL27742815 | 0.70 | — | — | |
| Pyrrole SCHEMBL27742675 | 0.70 | — | — | |
| Pyrrole SCHEMBL27391855 | 0.67 | — | — | |
| Pyrrole SCHEMBL28247785 | 0.67 | — | — | |
| Pyrrole SCHEMBL28221048 | 0.65 | — | — | |
| Pyrrole SCHEMBL841068 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0527186-A4 | — | UNIV ILLINOIS (US) | 1995-01-18 | — | — | EP | disclosed |
| EP-0527186-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | The Board of Trustees for the University of Illinois (US) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991016820-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1991-11-14 | — | — | WO | disclosed |