⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL11799126 | 0.78 | — | — | |
| Methane SCHEMBL11809322 | 0.76 | — | — | |
| Methane SCHEMBL11802884 | 0.76 | — | — | |
| SCHEMBL56148 | 0.72 | — | — | |
| SCHEMBL55529 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL2453787 | 0.70 | — | — | |
| SCHEMBL3674117 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL37352 | 0.69 | LMNA (0.40) | — | |
| SCHEMBL3669234 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL5155013 | 0.69 | — | — |
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-3978103-A | BONDING AGENTS, VULCANIZATION | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-08-31 | — | — | US | disclosed |