⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL905307 | 0.64 | — | — | |
| SCHEMBL250698 | 0.64 | — | — | |
| SCHEMBL4600876 | 0.64 | — | — | |
| SCHEMBL7485370 | 0.60 | — | — | |
| SCHEMBL7485368 | 0.60 | — | — | |
| SCHEMBL4602390 | 0.60 | — | — | |
| SCHEMBL9330142 | 0.60 | — | — | |
| SCHEMBL9363839 | 0.58 | — | — | |
| SCHEMBL2107615 | 0.51 | — | — | |
| SCHEMBL8844029 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017103191-A1 | RUBBER COMPOSITION COMPRISING GRAFTED CELLULOSE | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2017-06-22 | — | — | WO | claimed |
| WO-2001025226-A1 | DITHIOLANE DERIVATIVES | BETHESDA PHARMACEUTICALS, INC. (US) | 2001-04-12 | — | — | WO | claimed |
| WO-2017103191-A1 | RUBBER COMPOSITION COMPRISING GRAFTED CELLULOSE | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2017-06-22 | — | — | WO | disclosed |