⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31277089 | 0.89 | KMT2A (0.40) | — | |
| SCHEMBL8090333 | 0.89 | KMT2A (0.45) | — | |
| SCHEMBL8968249 | 0.88 | PLG (0.56) | — | |
| SCHEMBL9438614 | 0.88 | PLG (0.56) | — | |
| SCHEMBL3871573 | 0.87 | EPHX1 (0.48) | — | |
| SCHEMBL13621150 | 0.79 | NCF1 (0.45) | — | |
| SCHEMBL20329462 | 0.78 | TP53 (0.48) | — | |
| SCHEMBL15069506 | 0.76 | TFPI2 (0.39) | — | |
| SCHEMBL18950692 | 0.75 | DRD2 (0.41) | — | |
| SCHEMBL24483431 | 0.75 | ANPEP (0.56) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1337508-A1 | PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS | Pfizer Products Inc. (US) | 2003-08-27 | — | — | EP | claimed |
| WO-2002044133-A1 | PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2002-06-06 | — | — | WO | claimed |
| CN-113164617-A | Compounds for modulating and as a functional replacement for alpha-ketoglutarate (2OG) dependent oxygenase | 托马斯·梅尔希奥·霍曼 | 2021-07-23 | — | — | CN | disclosed |
| CN-103508948-A | Method for preparing pitavastatin calcium | ASYMCHEM LAB TIANJIN CO LTD | 2014-01-15 | — | — | CN | disclosed |
| EP-0543245-A1 | Renin inhibiting amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |
| CN-1072413-A | Amino acid derivative | HOFFMANN LA ROCHE (CH) | 1993-05-26 | — | — | CN | disclosed |