⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14217303 | 0.81 | — | — | |
| SCHEMBL14217316 | 0.76 | NPC1 (0.32) | — | |
| SCHEMBL14217314 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL14217311 | 0.70 | — | — | |
| SCHEMBL14217327 | 0.70 | ADORA2A (0.33) | — | |
| SCHEMBL23555963 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL14217312 | 0.69 | — | — | |
| SCHEMBL20043796 | 0.68 | PKM (0.41) | — | |
| SCHEMBL14479816 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL13407303 | 0.68 | ALDH1A1 (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-8921836-B2 | Polymer compound, and thin film and ink composition each containing same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-12-30 | — | — | US | disclosed |
| US-20120305899-A1 | POLYMER COMPOUND, AND THIN FILM AND INK COMPOSITION EACH CONTAINING SAME | NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) | 2012-12-06 | — | — | US | disclosed |