⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11541300 | 0.75 | — | — | |
| SCHEMBL11541943 | 0.67 | — | — | |
| SCHEMBL22244100 | 0.67 | — | — | |
| SCHEMBL28752358 | 0.67 | — | — | |
| SCHEMBL27655649 | 0.62 | — | — | |
| SCHEMBL11541407 | 0.61 | — | — | |
| SCHEMBL11539565 | 0.60 | — | — | |
| Hydrazine SCHEMBL6706285 | 0.60 | — | — | |
| Propene SCHEMBL11255303 | 0.56 | — | — | |
| Acrylonitrile SCHEMBL27921688 | 0.56 | — | — |
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-4156701-A | CHEMICAL INTERMEDIATE FOR CYSTEINE | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-05-29 | — | — | US | disclosed |