⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL187691 | 0.78 | CYP1A2 (0.39) | — | |
| Ethylene Glycol SCHEMBL1924197 | 0.75 | CYP1A2 (0.34) | — | |
| Succinic Acid SCHEMBL1414626 | 0.74 | CYP1A2 (0.33) | — | |
| Adipic Acid SCHEMBL1414883 | 0.72 | LMNA (0.34) | — | |
| Sebacic Acid SCHEMBL1537995 | 0.71 | HDAC11 (0.37) | — | |
| SCHEMBL9226515 | 0.69 | CYP1A2 (0.31) | — | |
| Isophthalic Acid SCHEMBL1414730 | 0.68 | KDM4E (0.41) | — | |
| Succinic Acid SCHEMBL1538063 | 0.63 | ALOX15 (0.38) | — | |
| SCHEMBL5145610 | 0.63 | HCAR2 (0.40) | — | |
| SCHEMBL10885795 | 0.61 | NPC1 (0.41) | — |
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-5466554-A | Toner compositions with modified polyester resins | XEROX CORPORATION (US) | 1995-11-14 | — | — | US | disclosed |