⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4266070 | 0.88 | — | — | |
| SCHEMBL302 | 0.87 | — | — | |
| SCHEMBL10526087 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL2479918 | 0.80 | — | — | |
| SCHEMBL10394282 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL15540045 | 0.80 | — | — | |
| Phosphine SCHEMBL10394278 | 0.80 | — | — | |
| SCHEMBL7126192 | 0.80 | — | — | |
| Methane SCHEMBL1818230 | 0.80 | — | — | |
| Iodide SCHEMBL5577051 | 0.80 | — | — |
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-4308389-A | Spiro-Δ3 -1,2,3-thiadiazolines and a method for the preparation thereof | SHELL OIL COMPANY (US) | 1981-12-29 | — | — | US | disclosed |