⚠ 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 SCHEMBL598339 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL1451382 | 0.82 | CA4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL28744462 | 0.71 | ALDH1A1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL1450801 | 0.70 | EPHX1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL9114364 | 0.69 | CA4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL1451892 | 0.69 | BBOX1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL1450595 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL3181588 | 0.67 | CES2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL1451529 | 0.67 | CES2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3184978 | 0.67 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825307-B2 | CONTACTING CYCLOOLEFIN MONOMER WITH A HIGH ACTIVITY TRANSITION METAL CATALYST COMPLEX TO OBTAIN POLYCYCLOOLEFIN | PROMERUS, LLC | 2004-11-30 | — | — | US | disclosed |
| WO-2004035636-A2 | POLYMERIZED CYCLOOLEFINS USING TRANSITION METAL CATALYST AND END PRODUCTS THEREOF | PROMERUS, LLC (US) | 2004-04-29 | — | — | WO | disclosed |
| US-20030023013-A1 | Catalyst and methods for polymerizing cycloolefins | THE B.F.GOODRICH COMPANY | 2003-01-30 | — | — | US | disclosed |