⚠ 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 | |
|---|---|---|---|---|
| N-Propyl Bromide SCHEMBL28865909 | 0.81 | — | — | |
| Butane SCHEMBL3198935 | 0.79 | — | — | |
| SCHEMBL17848966 | 0.78 | TSHR (0.48) | — | |
| N-Propyl Bromide SCHEMBL2478 | 0.78 | — | — | |
| N-Propyl Bromide SCHEMBL15864866 | 0.78 | — | — | |
| N-Propyl Bromide SCHEMBL5756591 | 0.78 | — | — | |
| N-Propyl Bromide SCHEMBL1258651 | 0.74 | — | — | |
| N-Propyl Bromide SCHEMBL11865393 | 0.74 | — | — | |
| N-Propyl Bromide SCHEMBL5810818 | 0.74 | — | — | |
| N-Propyl Bromide SCHEMBL5370009 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3233737-A1 | SCALE INHIBITOR COMPOSITIONS AND METHODS OF USING | Cytec Industries Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100336-A1 | SCALE INHIBITOR COMPOSITIONS AND METHODS OF USING | CYTEC INDUSTRIES INC. (US) | 2016-06-23 | — | — | WO | disclosed |