⚠ 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 | |
|---|---|---|---|---|
| Dipyridyl SCHEMBL864108 | 0.77 | — | — | |
| SCHEMBL742499 | 0.67 | NPC1 (0.34) | — | |
| Pyridine SCHEMBL204 | 0.63 | — | — | |
| Pyridine SCHEMBL1594442 | 0.63 | — | — | |
| Pyridine SCHEMBL32671498 | 0.61 | — | — | |
| Pyridine SCHEMBL16671178 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL9276407 | 0.60 | — | — | |
| Pyridine SCHEMBL9767959 | 0.59 | — | — | |
| Pyridine SCHEMBL4574131 | 0.58 | — | — | |
| Pyridine SCHEMBL9806323 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008028206-A2 | METHOD FOR PRODUCING REACTIVE MONOLAYER UNITS | Universität Linz (AT) | 2008-03-13 | — | — | WO | disclosed |