⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6820045 | 0.81 | CYP1A2 (0.46) | — | |
| SCHEMBL5640920 | 0.78 | — | — | |
| SCHEMBL2126594 | 0.77 | — | — | |
| SCHEMBL79088 | 0.77 | — | — | |
| SCHEMBL6540534 | 0.77 | — | — | |
| Zinc Ion SCHEMBL28664661 | 0.75 | CYP1A2 (0.42) | — | |
| SCHEMBL5490908 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL10141202 | 0.74 | — | — | |
| SCHEMBL21114388 | 0.74 | TSHR (0.57) | — | |
| SCHEMBL302811 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240270771-A1 | Compound containing phosphate group, pharmaceutical composition containing same, preparation method therefor and use thereof | SHANGHAI RAISING PHARMACEUTICAL CO., LTD. (CN) | 2024-08-15 | — | — | US | claimed |
| CN-115485272-A | PLXDC2 ligands | 朗多生物制药股份有限公司 | 2022-12-16 | — | — | CN | disclosed |
| US-20040044065-A1 | Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy | DOLPHIN DAVID H (CA) | 2004-03-04 | — | — | US | disclosed |
| US-6613304-B2 | For imaging renal tissues | UNIVERSITY OF BRITISH COLUMBIA (CA) | 2003-09-02 | — | — | US | disclosed |
| EP-1296721-A2 | RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING AND THERAPY | The University of British Columbia (CA) | 2003-04-02 | — | — | EP | disclosed |
| US-20020102209-A1 | Radiometal complexes of 2-pyrrolylthiones and their use as radiopharmaceuticals for imaging and therapy | UNIVERSITE DE SHERBROOKE (CA) | 2002-08-01 | — | — | US | disclosed |
| WO-2001080906-A9 | RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING A THERAPY | UNIV BRITISH COLUMBIA (CA) | 2002-02-21 | — | — | WO | disclosed |
| WO-2001080906-A2 | RADIOMETAL COMPLEXES OF 2-PYRROLYLTHIONES FOR IMAGING A THERAPY | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2001-11-01 | — | — | WO | disclosed |