⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11223116 | 0.90 | — | — | |
| SCHEMBL27261792 | 0.82 | — | — | |
| SCHEMBL161314 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL973369 | 0.75 | MAPK1 (0.32) | — | |
| SCHEMBL5843129 | 0.73 | ADRB2 (0.35) | — | |
| SCHEMBL4842907 | 0.72 | — | — | |
| SCHEMBL11021303 | 0.72 | LMNA (0.37) | — | |
| SCHEMBL5450689 | 0.71 | CHRM2 (0.38) | — | |
| SCHEMBL184378 | 0.71 | — | — | |
| SCHEMBL742544 | 0.70 | PIK3CD (0.32) | — |
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 |