⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL186320 | 0.93 | — | — | |
| SCHEMBL8847328 | 0.90 | — | — | |
| SCHEMBL93720 | 0.87 | — | — | |
| SCHEMBL17968405 | 0.86 | — | — | |
| SCHEMBL93641 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL23094086 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL6660500 | 0.80 | TDP1 (0.34) | — | |
| SCHEMBL93461 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL16760960 | 0.79 | — | — | |
| Methane SCHEMBL2463087 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0812340-A1 | EPOXY RESIN(S) WITH CURING AGENT AND TOUGHENER | Hexcel Corporation (US) | 1997-12-17 | — | — | EP | claimed |
| WO-1997024398-A1 | EPOXY RESIN(S) WITH CURING AGENT AND TOUGHENER | HEXCEL CORPORATION (US) | 1997-07-10 | — | — | WO | claimed |
| EP-0812340-A1 | EPOXY RESIN(S) WITH CURING AGENT AND TOUGHENER | Hexcel Corporation (US) | 1997-12-17 | — | — | EP | disclosed |
| WO-1997024398-A1 | EPOXY RESIN(S) WITH CURING AGENT AND TOUGHENER | HEXCEL CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |