⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2464237 | 0.88 | — | — | |
| SCHEMBL29045719 | 0.85 | — | — | |
| SCHEMBL7909531 | 0.82 | — | — | |
| SCHEMBL28742742 | 0.82 | — | — | |
| SCHEMBL28368183 | 0.82 | — | — | |
| SCHEMBL25272517 | 0.81 | PRKD3 (0.31) | — | |
| SCHEMBL11239439 | 0.81 | — | — | |
| SCHEMBL28011347 | 0.81 | — | — | |
| SCHEMBL25278220 | 0.79 | PRKD3 (0.33) | — | |
| SCHEMBL25272834 | 0.79 | PRKD3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3997581-A | BONDING AGENTS IN SULFUR VULCANIZABLE RUBBERS | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-12-14 | — | — | US | disclosed |