⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1699140 | 0.70 | — | — | |
| SCHEMBL6562839 | 0.70 | — | — | |
| 1,3-Butanediol SCHEMBL28084102 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL29035130 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL583416 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL28899896 | 0.65 | CA1 (0.30) | — | |
| SCHEMBL27923820 | 0.64 | — | — | |
| SCHEMBL16743129 | 0.64 | CA1 (0.50) | — | |
| SCHEMBL5165989 | 0.64 | CA1 (0.50) | — | |
| SCHEMBL584337 | 0.63 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0348491-B1 | AMINATED HYDROXYLATED POLYESTER POLYOL RESIN AND MOLDING COMPOSITIONS COMPRISED THEREOF | OWENS CORNING FIBERGLASS CORP (US) | 1994-04-27 | — | — | EP | disclosed |
| EP-0348491-A1 | AMINATED HYDROXYLATED POLYESTER POLYOL RESIN AND MOLDING COMPOSITIONS COMPRISED THEREOF. | OWENS CORNING FIBERGLASS CORP (US) | 1990-01-03 | — | — | EP | disclosed |
| WO-1989006252-A1 | AMINATED HYDROXYLATED POLYESTER POLYOL RESIN AND MOLDING COMPOSITIONS COMPRISED THEREOF | OWENS-CORNING FIBERGLAS CORPORATION (US) | 1989-07-13 | — | — | WO | disclosed |