⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7872873 | 0.78 | — | — | |
| SCHEMBL7869357 | 0.76 | — | — | |
| SCHEMBL11286898 | 0.76 | — | — | |
| SCHEMBL6420321 | 0.71 | — | — | |
| SCHEMBL28167893 | 0.69 | — | — | |
| SCHEMBL7872219 | 0.67 | — | — | |
| SCHEMBL7870976 | 0.67 | — | — | |
| SCHEMBL7872875 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28113082 | 0.67 | — | — | |
| SCHEMBL6046316 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE38251-E1 | Dihydroperimidines | IMATION CORP. | 2003-09-16 | — | — | US | disclosed |
| US-6605416-B2 | Using squarylium dye | IMATION CORP. | 2003-08-12 | — | — | US | disclosed |
| US-20010008748-A1 | COMPOSITIONS AND PROCESSES FOR PHOTOGENERATION OF ACID | IMATION CORP. | 2001-07-19 | — | — | US | disclosed |
| US-5763134-A | Composition comprising photochemical acid progenitor and specific squarylium dye | IMATION CORP (US) | 1998-06-09 | — | — | US | disclosed |
| US-5360694-A | Squarylium dyes | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1994-11-01 | — | — | US | disclosed |