⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16970014 | 0.77 | — | — | |
| SCHEMBL16969962 | 0.69 | — | — | |
| SCHEMBL9393561 | 0.67 | — | — | |
| SCHEMBL7853348 | 0.65 | — | — | |
| SCHEMBL11366628 | 0.63 | — | — | |
| SCHEMBL11366613 | 0.63 | — | — | |
| SCHEMBL16969612 | 0.61 | TSHR (0.30) | — | |
| SCHEMBL558207 | 0.60 | — | — | |
| SCHEMBL16970391 | 0.60 | — | — | |
| SCHEMBL16969570 | 0.60 | — | — |
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-4144269-A | FROM BENZOYL CHLORIDE AND ALKALI METAL CYANIDE, CYANATION, BY-PRODUCT INHIBITION | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-03-13 | — | — | US | disclosed |