⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27577008 | 0.86 | CES2 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL2995081 | 0.86 | CES2 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL27556727 | 0.84 | KEAP1 (0.31) | — | |
| Bromide SCHEMBL28391750 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL21052501 | 0.80 | ALDH1A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL6689123 | 0.80 | ALDH1A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL598339 | 0.75 | — | — | |
| SCHEMBL1451469 | 0.73 | ALDH1A1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL1451529 | 0.71 | CES2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3181588 | 0.71 | CES2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1853972-B1 | NORBORNENE-TYPE POLYMERS AND THEIR MANUFACTURE PROCESS | PROMERUS LLC (US) | 2011-07-20 | — | — | EP | disclosed |
| EP-2031007-B1 | Top-coat compositions with norbornene-type polymers and immersion lithographic processes using such compositions | TOKYO OHKA KOGYO CO LTD (JP) | 2011-07-20 | — | — | EP | disclosed |