⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7364587 | 0.80 | — | — | |
| SCHEMBL101600 | 0.75 | POLB (0.31) | — | |
| SCHEMBL7369993 | 0.75 | — | — | |
| SCHEMBL7368241 | 0.74 | — | — | |
| SCHEMBL11801057 | 0.74 | — | — | |
| SCHEMBL39164 | 0.74 | POLB (0.30) | — | |
| SCHEMBL1198132 | 0.74 | POLB (0.30) | — | |
| SCHEMBL20503332 | 0.73 | HSD17B10 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL5312428 | 0.72 | — | — | |
| SCHEMBL744087 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |