⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11222225 | 0.88 | — | — | |
| SCHEMBL20303773 | 0.86 | METAP1 (0.37) | — | |
| SCHEMBL5077803 | 0.82 | DNM1 (0.33) | — | |
| SCHEMBL11202842 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL4638041 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL7525622 | 0.73 | CA1 (0.35) | — | |
| SCHEMBL7538801 | 0.73 | — | — | |
| Isobutane SCHEMBL7910872 | 0.71 | — | — | |
| Isobutane SCHEMBL3986587 | 0.71 | — | — | |
| Isobutane SCHEMBL11409032 | 0.71 | — | — |
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-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |