⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13409249 | 0.77 | — | — | |
| SCHEMBL5349953 | 0.77 | — | — | |
| SCHEMBL13409251 | 0.77 | — | — | |
| SCHEMBL202551 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL13066858 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL7902771 | 0.71 | — | — | |
| SCHEMBL5945287 | 0.69 | — | — | |
| SCHEMBL5353877 | 0.67 | — | — | |
| SCHEMBL5945284 | 0.67 | — | — | |
| SCHEMBL786964 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050159614-A1 | Norbornane based cycloaliphatic compounds containing nitrile groups | E. I. DU PONT DE NEMOURS AND COMPANY | 2005-07-21 | — | — | US | disclosed |
| US-6197894-B1 | IN THE PRESENCE OF HYDROGEN USING A CATALYST CONSISTING OF AN AMINE COMPOUND AND A METALLIC COMPLEX OF AN ORGANIC PHOSPHOROUS COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-03-06 | — | — | US | disclosed |