⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL742544 | 0.85 | PIK3CD (0.32) | — | |
| SCHEMBL6946486 | 0.79 | — | — | |
| SCHEMBL891898 | 0.79 | LMNA (0.42) | — | |
| SCHEMBL17789988 | 0.74 | CA2 (0.31) | — | |
| SCHEMBL669602 | 0.74 | — | — | |
| SCHEMBL20641609 | 0.74 | — | — | |
| SCHEMBL2724810 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL20602876 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL11442338 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL7517602 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0772607-A1 | WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME | FUJI PHOTO FILM CO., LTD. (JP) | 1997-05-14 | — | — | EP | disclosed |
| US-5599825-A | ANTITUMOR AGENTS | FUJI PHOTO FILM CO., LTD. (JP) | 1997-02-04 | — | — | US | disclosed |
| WO-1996003393-A1 | WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME | FUJI PHOTO FILM CO., LTD. (JP) | 1996-02-08 | — | — | WO | disclosed |