⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3503362 | 0.84 | — | — | |
| SCHEMBL29044404 | 0.77 | THRB (0.36) | — | |
| SCHEMBL28065613 | 0.74 | — | — | |
| SCHEMBL20261745 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL17706863 | 0.72 | — | — | |
| SCHEMBL6865920 | 0.72 | — | — | |
| SCHEMBL28065607 | 0.71 | — | — | |
| SCHEMBL17707119 | 0.71 | — | — | |
| SCHEMBL28403499 | 0.70 | — | — | |
| SCHEMBL29263957 | 0.70 | — | — |
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-4033934-A | ADHESION PROMOTERS | Berger, Abe (US) | 1977-07-05 | — | — | US | disclosed |
| US-3997581-A | BONDING AGENTS IN SULFUR VULCANIZABLE RUBBERS | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-12-14 | — | — | US | disclosed |