⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL9391716 | 0.96 | ACHE (0.58) | — | |
| Butane SCHEMBL1162354 | 0.96 | — | — | |
| Butane SCHEMBL7190424 | 0.92 | — | — | |
| Butane SCHEMBL8678771 | 0.92 | — | — | |
| Butane SCHEMBL7679083 | 0.92 | — | — | |
| Butane SCHEMBL147084 | 0.84 | — | — | |
| Carbamic Acid SCHEMBL27929645 | 0.84 | — | — | |
| Propanol SCHEMBL27377782 | 0.81 | — | — | |
| Propylamine SCHEMBL15456238 | 0.81 | — | — | |
| Hexane SCHEMBL7079135 | 0.81 | AKR1B1 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7140720-A | — | — | None | — | — | JP | disclosed |
| JP-H07140720-A | CARRIER FOR DEVELOPER | RICOH CO LTD | 1995-06-02 | — | — | JP | disclosed |