⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6783793 | 0.76 | BRD4 (0.53) | — | |
| SCHEMBL6783572 | 0.72 | P2RX7 (0.52) | — | |
| SCHEMBL6783181 | 0.71 | — | — | |
| SCHEMBL6784302 | 0.71 | LMNA (0.48) | — | |
| SCHEMBL30930306 | 0.69 | NPSR1 (0.43) | — | |
| SCHEMBL6783409 | 0.68 | PTGDR2 (0.43) | — | |
| SCHEMBL30930427 | 0.68 | NPSR1 (0.38) | — | |
| SCHEMBL30930375 | 0.68 | CYP2D6 (0.39) | — | |
| SCHEMBL30930310 | 0.68 | MCHR1 (0.39) | — | |
| SCHEMBL30930472 | 0.68 | CYP2D6 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9776963-B2 | Small molecule CD4 mimetics and uses thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2017-10-03 | — | — | US | disclosed |
| US-20120122834-A1 | SMALL MOLECULE CD4 MIMETICS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2012-05-17 | — | — | US | disclosed |
| WO-2010053583-A2 | SMALL MOLECULE CD4 MIMETICS AND USES THEREOF | DANA FARBER CANCER INSTITUTE (US) | 2010-05-14 | — | — | WO | disclosed |