⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20431303 | 0.65 | — | — | |
| SCHEMBL1477929 | 0.56 | CES2 (0.30) | — | |
| SCHEMBL1826218 | 0.56 | CYP1A2 (0.32) | — | |
| SCHEMBL2494425 | 0.56 | — | — | |
| SCHEMBL302728 | 0.55 | — | — | |
| SCHEMBL19996797 | 0.55 | — | — | |
| SCHEMBL8662866 | 0.54 | — | — | |
| SCHEMBL8984539 | 0.53 | — | — | |
| Perchlorobenzene SCHEMBL26562 | 0.51 | ALDH1A1 (0.50) | — | |
| Perchlorobenzene SCHEMBL1330781 | 0.51 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004010761-A2 | PESTICIDAL CYANINE DYE DERIVATIVES | FMC CORPORATION (US) | 2004-02-05 | — | — | WO | claimed |
| WO-2004010761-A2 | PESTICIDAL CYANINE DYE DERIVATIVES | FMC CORPORATION (US) | 2004-02-05 | — | — | WO | disclosed |
| CN-88101641-A | Cyclic olefine random copolymers and method for making thereof | — | 1988-09-28 | — | — | CN | disclosed |