⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18474058 | 0.79 | — | — | |
| SCHEMBL6155348 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11080405 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27509463 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL17395750 | 0.73 | — | — | |
| SCHEMBL18869162 | 0.73 | — | — | |
| SCHEMBL17402476 | 0.73 | — | — | |
| SCHEMBL76861 | 0.71 | — | — | |
| SCHEMBL1789536 | 0.71 | — | — | |
| Propanol SCHEMBL27533076 | 0.71 | TSHR (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1352554-A | IL-8 receptor antagaonists | SMITHKLINE BEECHAM CORP (US) | 2002-06-05 | — | — | CN | claimed |
| CN-1115143-C | Cosmetic composition | KAO CORP (JP) | 2003-07-23 | — | — | CN | disclosed |
| CN-1352554-A | IL-8 receptor antagaonists | SMITHKLINE BEECHAM CORP (US) | 2002-06-05 | — | — | CN | disclosed |
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| CN-1166135-A | Cosmetic compsns. | KAO CORP (JP) | 1997-11-26 | — | — | CN | disclosed |
| EP-0121082-A1 | Guanidin derivatives | BAYER AG (DE) | 1984-10-10 | — | — | EP | disclosed |