⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15145005 | 0.71 | CA1 (0.35) | — | |
| SCHEMBL1766563 | 0.69 | — | — | |
| SCHEMBL3289544 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL12256492 | 0.65 | CA1 (0.32) | — | |
| Potassium Ion SCHEMBL5323552 | 0.65 | — | — | |
| SCHEMBL2229445 | 0.64 | CA1 (0.31) | — | |
| SCHEMBL2231399 | 0.64 | CA1 (0.31) | — | |
| SCHEMBL2230410 | 0.64 | CA1 (0.31) | — | |
| SCHEMBL1470335 | 0.62 | — | — | |
| SCHEMBL890985 | 0.62 | CA2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8486185-B2 | Inkjet recording ink, ink cartridge and inkjet recording apparatus | RICOH COMPANY, LTD. (JP) | 2013-07-16 | — | — | US | disclosed |
| US-20120121831-A1 | INKJET RECORDING INK, INK CARTRIDGE AND INKJET RECORDING APPARATUS | RICOH COMPANY, LTD. (JP) | 2012-05-17 | — | — | US | disclosed |