⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20445498 | 0.85 | HRH4 (0.31) | — | |
| SCHEMBL19546064 | 0.83 | HRH4 (0.33) | — | |
| SCHEMBL9255023 | 0.81 | HRH4 (0.31) | — | |
| SCHEMBL19542940 | 0.81 | HRH4 (0.34) | — | |
| SCHEMBL20445573 | 0.79 | TRPV4 (0.31) | — | |
| SCHEMBL19542960 | 0.79 | HRH4 (0.36) | — | |
| SCHEMBL20438332 | 0.77 | HRH4 (0.33) | — | |
| SCHEMBL10617941 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL20118885 | 0.74 | EPHX1 (0.33) | — | |
| SCHEMBL20118898 | 0.74 | TDP1 (0.32) | — |
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-10660969-B2 | Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof | XIAMEN SINOPEG BIOTECH CO., LTD. (CN) | 2020-05-26 | — | — | US | disclosed |