⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL147380 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL29035130 | 0.80 | ALDH1A1 (0.41) | — | |
| 1,6-Hexanediol SCHEMBL9247725 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL10611531 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL3817225 | 0.76 | ESR1 (0.35) | — | |
| Thiodiglycol SCHEMBL6053455 | 0.74 | TDP1 (0.39) | — | |
| SCHEMBL16752544 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL16752545 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL1472489 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL5669740 | 0.70 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3617270-A1 | SINTER POWDER (SP) COMPRISING A PARTIALLY CRYSTALLINE TEREPHTHALATE POLYESTER, AN AMORPHOUS TEREPHTHALATE POLYESTER AND A PHOSPHINIC ACID SALT | BASF SE (DE) | 2020-03-04 | — | — | EP | disclosed |