⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276437 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6079983 | 0.94 | HDAC8 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6843504 | 0.94 | HDAC8 (0.43) | — | |
| Hydrochloric Acid SCHEMBL15569913 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL28185437 | 0.63 | — | — | |
| SCHEMBL5179594 | 0.62 | ESR1 (0.50) | — | |
| SCHEMBL5752803 | 0.61 | KMT2A (0.47) | — | |
| SCHEMBL17591495 | 0.61 | — | — | |
| SCHEMBL8866018 | 0.61 | HDAC8 (0.40) | — | |
| SCHEMBL2391653 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090233059-A1 | Pigment dispersion, method for producing pigment dispersion, water-based ink composition comprising pigment dispersion, ink jet recording method using ink composition and ink jet recorded matter using ink composition | SEIKO EPSON CORPORATION (JP) | 2009-09-17 | — | — | US | disclosed |