⚠ 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 SCHEMBL9114364 | 0.88 | CA4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL9007448 | 0.84 | CA4 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL4318058 | 0.79 | ALDH1A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL1451382 | 0.70 | CA4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL9007443 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL20571141 | 0.68 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL29414644 | 0.67 | CA4 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL1239393 | 0.66 | CA4 (0.33) | — | |
| Trichloromonofluoromethane SCHEMBL11804529 | 0.65 | ALDH1A1 (0.44) | — | |
| Trichloroacetic Acid SCHEMBL28340766 | 0.65 | ALDH1A1 (0.56) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090264608-A1 | METHOD FOR PRODUCING NORBORNENE BASED ADDITION (CO)POLYMER | NIHON UNIVERSITY (JP) | 2009-10-22 | — | — | US | disclosed |