⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10715417 | 0.93 | EPHX1 (0.55) | — | |
| SCHEMBL17198918 | 0.76 | RAB9A (0.43) | — | |
| SCHEMBL3287227 | 0.72 | — | — | |
| SCHEMBL9636001 | 0.71 | — | — | |
| SCHEMBL968307 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10466963 | 0.71 | EPHX1 (0.47) | — | |
| SCHEMBL21481552 | 0.70 | EPHX1 (0.38) | — | |
| SCHEMBL11673901 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL18532680 | 0.70 | — | — | |
| SCHEMBL10775114 | 0.69 | EPHX1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3381918-B1 | 7-(THIAZOL-5-YL) PYRROLOPYRIMIDINE COMPOUND AS TLR7 AGONIST | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2020-09-16 | — | — | EP | disclosed |
| EP-3412674-B1 | TRIFLUOROACETATE SALT OF A TLR7 AGONIST AND CRYSTALLINE FORM B THEREOF, PREPARATION METHODS AND USES | CHIA TAI TIANQING PHARMACEUTICAL GROUP COLTD (CN) | 2020-09-16 | — | — | EP | disclosed |
| EP-3412672-B1 | CRYSTAL FORM A OF 2-BUTOXY-7-(4-(PYRROLIDIN-1-YLMETHYL) BENZYL)-5H-PYRROLO[3,2-D]PYRIMIDIN-4-AMINE AS TLR7 AGONIST, PREPARATION METHOD AND USE THEREOF | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2020-07-15 | — | — | EP | disclosed |