⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14217311 | 0.88 | — | — | |
| SCHEMBL10441966 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL14217328 | 0.75 | ESR1 (0.30) | — | |
| SCHEMBL14217322 | 0.75 | ESR1 (0.30) | — | |
| SCHEMBL14217306 | 0.75 | PKM (0.30) | — | |
| SCHEMBL18133625 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL12278300 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL17487322 | 0.74 | — | — | |
| SCHEMBL14217314 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL14217303 | 0.73 | — | — |
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 |