⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21308042 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL2126808 | 0.79 | — | — | |
| SCHEMBL1034994 | 0.78 | — | — | |
| SCHEMBL4426072 | 0.76 | LMNA (0.41) | — | |
| SCHEMBL9700118 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL4581130 | 0.73 | — | — | |
| SCHEMBL309862 | 0.73 | — | — | |
| SCHEMBL7881636 | 0.72 | ADRB2 (0.31) | — | |
| SCHEMBL15053611 | 0.72 | — | — | |
| SCHEMBL3656709 | 0.71 | KDM4E (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0892780-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997030971-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-28 | — | — | WO | disclosed |