⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18519489 | 0.70 | DPP4 (0.36) | — | |
| SCHEMBL17346685 | 0.70 | CHRM4 (0.31) | — | |
| SCHEMBL8350061 | 0.65 | CHRM3 (0.32) | — | |
| SCHEMBL14310363 | 0.65 | CHRM3 (0.32) | — | |
| SCHEMBL25224878 | 0.65 | — | — | |
| SCHEMBL27642620 | 0.64 | — | — | |
| SCHEMBL24675302 | 0.63 | — | — | |
| SCHEMBL16542281 | 0.63 | — | — | |
| SCHEMBL17167092 | 0.62 | — | — | |
| SCHEMBL11411024 | 0.62 | USP2 (0.34) | — |
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-9840537-B2 | Selective delivery molecules and methods of use | AVELAS BIOSCIENCES, INC. (US) | 2017-12-12 | — | — | US | disclosed |