⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5969607 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL8192999 | 0.71 | — | — | |
| SCHEMBL12653349 | 0.69 | — | — | |
| SCHEMBL7828407 | 0.69 | — | — | |
| SCHEMBL77747 | 0.69 | — | — | |
| SCHEMBL677877 | 0.69 | — | — | |
| SCHEMBL596395 | 0.69 | — | — | |
| SCHEMBL17022788 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL938893 | 0.67 | — | — | |
| SCHEMBL8986170 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014174237-A1 | BIOACTIVE COATINGS | BIOINTERACTIONS LIMITED (GB) | 2014-10-30 | — | — | WO | disclosed |
| WO-2014123364-A1 | N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | HANALL BIOPHARMA CO., LTD. (KR) | 2014-08-14 | — | — | WO | disclosed |