⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5164575 | 0.83 | ALOX15 (0.59) | — | |
| SCHEMBL5164424 | 0.83 | ALOX15 (0.59) | — | |
| SCHEMBL16870301 | 0.76 | — | — | |
| SCHEMBL18914929 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL36620 | 0.69 | BTN3A1 (0.41) | — | |
| SCHEMBL27295132 | 0.69 | BTN3A1 (0.41) | — | |
| SCHEMBL2607547 | 0.67 | — | — | |
| SCHEMBL13409437 | 0.67 | — | — | |
| SCHEMBL113776 | 0.67 | — | — | |
| SCHEMBL6913629 | 0.67 | ALDH1A1 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015184492-A1 | BACTERIOSTATIC SURFACES | UNIVERSITY OF SOUTH AUSTRALIA (AU) | 2015-12-10 | — | — | WO | claimed |
| WO-2015184492-A1 | BACTERIOSTATIC SURFACES | UNIVERSITY OF SOUTH AUSTRALIA (AU) | 2015-12-10 | — | — | WO | disclosed |
| US-20150284743-A1 | METHODS FOR THE ENZYMATIC PRODUCTION OF ISOPRENE FROM ISOPRENOL | Global Bioenergies a corporation | 2015-10-08 | — | — | US | disclosed |