⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25401937 | 0.83 | — | — | |
| SCHEMBL7508790 | 0.77 | — | — | |
| SCHEMBL18809965 | 0.72 | — | — | |
| SCHEMBL945744 | 0.69 | — | — | |
| SCHEMBL7637703 | 0.67 | — | — | |
| SCHEMBL10656671 | 0.63 | — | — | |
| SCHEMBL59753 | 0.62 | CYP1A2 (0.53) | — | |
| Water SCHEMBL10884100 | 0.62 | CYP1A2 (0.53) | — | |
| SCHEMBL11494179 | 0.62 | CYP1A2 (0.53) | — | |
| SCHEMBL11549049 | 0.60 | CYP1A2 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699199-B1 | HETEROATOM SUBSTITUTED ALKYL BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 2002-11-20 | — | — | EP | disclosed |
| US-5869499-A | Benzyloxyquinuclidines as substance P antagonists | PFIZER INC (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0708771-B1 | BENZYLOXYQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 1998-10-07 | — | — | EP | disclosed |
| US-5741797-A | Heteroatom substituted alkyl benzylaminoquinuclidines | PFIZER INC. (US) | 1998-04-21 | — | — | US | disclosed |
| EP-0708771-A1 | BENZYLOXYQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1996-05-01 | — | — | EP | disclosed |
| EP-0699199-A1 | HETEROATOM SUBSTITUTED ALKYL BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1996-03-06 | — | — | EP | disclosed |
| WO-1995002595-A1 | BENZYLOXYQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-01-26 | — | — | WO | disclosed |
| WO-1994026740-A1 | HETEROATOM SUBSTITUTED ALKYL BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-11-24 | — | — | WO | disclosed |