⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5801459 | 0.70 | — | — | |
| SCHEMBL5064035 | 0.64 | — | — | |
| SCHEMBL1868811 | 0.60 | — | — | |
| SCHEMBL27902823 | 0.59 | — | — | |
| SCHEMBL4662808 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL29838166 | 0.56 | — | — | |
| SCHEMBL27738671 | 0.56 | — | — | |
| Water SCHEMBL28269400 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL28177610 | 0.56 | — | — | |
| SCHEMBL30600189 | 0.55 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2860181-B1 | FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF | SHANGHAI YINGLI PHARM CO LTD (CN) | 2019-02-13 | — | — | EP | disclosed |
| EP-1633348-A1 | 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | Elan Pharmaceuticals, Inc. (US) | 2006-03-15 | — | — | EP | disclosed |
| EP-1539716-A1 | BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Arrow Therapeutics Limited (GB) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004098589-A1 | 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | ELAN PHARMACEUTICALS, INC. (US) | 2004-11-18 | — | — | WO | disclosed |
| WO-2004026843-A1 | BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ARROW THERAPEUTICS LIMITED (GB) | 2004-04-01 | — | — | WO | disclosed |