⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27542392 | 0.82 | — | — | |
| SCHEMBL8926675 | 0.78 | — | — | |
| SCHEMBL30536047 | 0.77 | — | — | |
| SCHEMBL5927827 | 0.75 | — | — | |
| SCHEMBL5611758 | 0.75 | — | — | |
| SCHEMBL6139435 | 0.75 | — | — | |
| SCHEMBL31469115 | 0.75 | — | — | |
| SCHEMBL438121 | 0.74 | — | — | |
| SCHEMBL438122 | 0.74 | — | — | |
| SCHEMBL438143 | 0.74 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5646144-A | FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0686652-B1 | Radically curable alkenylether siloxane compositions | WACKER CHEMIE GMBH (DE) | 1996-09-11 | — | — | EP | disclosed |
| US-5541195-A | SUBSTANCE P ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0686652-A1 | Radically curable alkenylether siloxane compositions | Wacker-Chemie GmbH (DE) | 1995-12-13 | — | — | EP | disclosed |
| US-5310743-A | Substance P antagonist | CIBA-GEIGY CORP. (US) | 1994-05-10 | — | — | US | disclosed |