⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11773606 | 1.00 | — | — | |
| SCHEMBL11773086 | 1.00 | — | — | |
| SCHEMBL11775916 | 0.97 | — | — | |
| SCHEMBL3277733 | 0.90 | — | — | |
| SCHEMBL21369994 | 0.83 | — | — | |
| SCHEMBL4527065 | 0.79 | — | — | |
| SCHEMBL3033207 | 0.73 | — | — | |
| SCHEMBL25230704 | 0.72 | — | — | |
| SCHEMBL69656 | 0.72 | — | — | |
| SCHEMBL19358640 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230303539-A1 | IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF | SHANGHAITECH UNIVERSITY (CN) | 2023-09-28 | — | — | US | disclosed |
| EP-4198030-A1 | IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF | Shanghaitech University (CN) | 2023-06-21 | — | — | EP | disclosed |
| EP-1524980-A1 | PHENYLALANINE ENAMIDE DERIVATIVES CONTAINING A SPIRO[3.5]NON-1-ENE RING FOR USE AS INTEGRIN INHIBITORS | Celltech R & D Limited (GB) | 2005-04-27 | — | — | EP | disclosed |
| US-3989744-A | STIMULATES SMOOTH MUSCLES, PROSTAGLANDINS | MILES LABORATORIES, INC. (US) | 1976-11-02 | — | — | US | disclosed |