⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL14778243 | 0.87 | — | — | |
| SCHEMBL10423749 | 0.82 | — | — | |
| SCHEMBL28197837 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL7872875 | 0.78 | — | — | |
| SCHEMBL7869361 | 0.77 | — | — | |
| SCHEMBL30616364 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL2468752 | 0.75 | — | — | |
| SCHEMBL1536260 | 0.75 | — | — | |
| SCHEMBL8372153 | 0.75 | — | — | |
| SCHEMBL7153465 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |