⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6632806 | 0.92 | — | — | |
| SCHEMBL6630719 | 0.90 | GPR84 (0.33) | — | |
| SCHEMBL7042969 | 0.82 | — | — | |
| SCHEMBL8386363 | 0.78 | CA5A (0.36) | — | |
| SCHEMBL101407 | 0.76 | — | — | |
| SCHEMBL27516455 | 0.76 | — | — | |
| SCHEMBL266229 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL700497 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL9012336 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL27526927 | 0.72 | TSHR (0.48) | — |
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-20040231558-A1 | Has a clear hue, high light fastness and high moisture resistance | MITSUI CHEMICALS, INC. (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1441013-A1 | WATERCOLOR INK | Mitsui Chemicals, Inc. (JP) | 2004-07-28 | — | — | EP | disclosed |