⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27773446 | 0.82 | — | — | |
| Propane SCHEMBL10896365 | 0.78 | — | — | |
| SCHEMBL27946387 | 0.78 | — | — | |
| SCHEMBL2904 | 0.78 | — | — | |
| Formaldehyde SCHEMBL27671078 | 0.74 | — | — | |
| SCHEMBL25399170 | 0.72 | — | — | |
| SCHEMBL6437799 | 0.72 | — | — | |
| Water SCHEMBL4084932 | 0.72 | — | — | |
| SCHEMBL7397565 | 0.72 | — | — | |
| Water SCHEMBL3270886 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4133706-A | Propellants containing carboranylmethyl alkyl sulfide plasticizers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-01-09 | — | — | US | disclosed |
| US-4132740-A | Preparation of carboranyl sulfides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-01-02 | — | — | US | disclosed |