⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9930368 | 0.81 | LMNA (0.38) | — | |
| SCHEMBL29233004 | 0.77 | — | — | |
| SCHEMBL3359606 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL652273 | 0.69 | — | — | |
| SCHEMBL3358652 | 0.67 | — | — | |
| Propane SCHEMBL3914028 | 0.67 | TSHR (0.35) | — | |
| Ethane SCHEMBL3900069 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL1258047 | 0.65 | — | — | |
| SCHEMBL16845318 | 0.65 | — | — | |
| SCHEMBL8167635 | 0.65 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1188803-B1 | Aqueous ink composition | SEIKO EPSON CORP (JP) | 2004-11-24 | — | — | EP | claimed |
| JP-2002053780-A | WATER BASE INK COMPOSITION | SEIKO EPSON CORP | 2002-02-19 | — | — | JP | disclosed |