⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7166020 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL3183131 | 0.72 | — | — | |
| SCHEMBL5673103 | 0.72 | — | — | |
| SCHEMBL11115709 | 0.72 | — | — | |
| SCHEMBL16900258 | 0.71 | — | — | |
| SCHEMBL14079979 | 0.70 | — | — | |
| SCHEMBL14079977 | 0.70 | — | — | |
| SCHEMBL15547423 | 0.70 | — | — | |
| SCHEMBL5176374 | 0.70 | ALOX15 (0.44) | — | |
| SCHEMBL12684520 | 0.70 | — | — |
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-20170145058-A1 | METHOD FOR TARGETED CONJUGATION OF PEPTIDES AND PROTEINS BY PAIRED C2 BRIDGING OF CYSTEINE AMINO ACIDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-05-25 | — | — | US | disclosed |