⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17199405 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL20749862 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL13337224 | 0.72 | — | — | |
| SCHEMBL14853516 | 0.69 | — | — | |
| SCHEMBL17806035 | 0.65 | — | — | |
| SCHEMBL609517 | 0.65 | CYP1A2 (0.32) | — | |
| SCHEMBL13135700 | 0.65 | — | — | |
| SCHEMBL8449 | 0.64 | — | — | |
| SCHEMBL20080607 | 0.59 | — | — | |
| SCHEMBL9721883 | 0.57 | NOS3 (0.38) | — |
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-8114585-B2 | Method for determining human immunodeficiency virus (HIV) coreceptor utilization by examining gp41 molecular determinants | MONOGRAM BIOSCIENCES, INC. (US) | 2012-02-14 | — | — | US | disclosed |