⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27848443 | 0.74 | — | — | |
| SCHEMBL15099823 | 0.69 | — | — | |
| SCHEMBL14012315 | 0.69 | — | — | |
| SCHEMBL3979324 | 0.67 | — | — | |
| SCHEMBL17284546 | 0.65 | — | — | |
| SCHEMBL1342891 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL11297515 | 0.65 | — | — | |
| SCHEMBL27934632 | 0.64 | CHRNB2 (0.36) | — | |
| SCHEMBL21764029 | 0.63 | — | — | |
| SCHEMBL24455271 | 0.62 | SPHK2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7691962-B2 | Chemical linkers and conjugates thereof | MEDAREX, INC. (US) | 2010-04-06 | — | — | US | disclosed |