⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9156108 | 0.87 | — | — | |
| SCHEMBL25253103 | 0.87 | — | — | |
| SCHEMBL10271824 | 0.87 | — | — | |
| SCHEMBL9080867 | 0.86 | — | — | |
| SCHEMBL1976536 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL13721848 | 0.82 | — | — | |
| SCHEMBL9078603 | 0.78 | CCNB2 (0.31) | — | |
| SCHEMBL9150337 | 0.77 | PDE4A (0.35) | — | |
| SCHEMBL11785129 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL9151003 | 0.76 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-52083577-A | — | — | None | — | — | JP | disclosed |
| US-5489499-A | DISCOLORATION INHIBITION, STORAGE STABILITY | FUJI PHOTO FILM CO., LTD. (JP) | 1996-02-06 | — | — | US | disclosed |
| JP-S5283577-A | 2-SUBSTITUTED-4-TRICHLOROMETHYL-6-TRIFLUOROMETHYL-S-TRIAZINE | MITSUBISHI CHEM IND LTD | 1977-07-12 | — | — | JP | disclosed |