⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20167 | 0.95 | — | — | |
| SCHEMBL7203124 | 0.90 | — | — | |
| SCHEMBL28142200 | 0.90 | — | — | |
| Water SCHEMBL4166018 | 0.90 | — | — | |
| Methane SCHEMBL3647454 | 0.90 | — | — | |
| SCHEMBL23581505 | 0.90 | — | — | |
| Water SCHEMBL2127288 | 0.90 | — | — | |
| SCHEMBL8857773 | 0.90 | — | — | |
| SCHEMBL10802499 | 0.90 | — | — | |
| SCHEMBL10796670 | 0.86 | — | — |
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-6391948-B1 | MELT EXTRUSION OF FIBERS, FILMS, COATINGS | 3M INNOVATIVE PROPERTIES COMPANY | 2002-05-21 | — | — | US | disclosed |
| WO-2001044209-A1 | TRIAZINE COMPOUNDS AND USE AS WATER REPELLENT | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2001-06-21 | — | — | WO | disclosed |