⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4783517 | 0.85 | HTR6 (0.34) | — | |
| SCHEMBL15451117 | 0.66 | — | — | |
| SCHEMBL45551 | 0.63 | FDPS (0.33) | — | |
| Hydrochloric Acid SCHEMBL2704379 | 0.63 | FDPS (0.33) | — | |
| SCHEMBL28313076 | 0.62 | FDPS (0.31) | — | |
| SCHEMBL3773027 | 0.61 | FDPS (0.32) | — | |
| SCHEMBL3302681 | 0.60 | FDPS (0.31) | — | |
| SCHEMBL1934289 | 0.60 | DPP7 (0.33) | — | |
| SCHEMBL19559990 | 0.60 | FDPS (0.36) | — | |
| SCHEMBL861620 | 0.60 | FDPS (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242438-B1 | 3-Azetidinylalkylpiperidines or -pyrrolidines as tachykinin antagonists | PFIZER INC. | 2001-06-05 | — | — | US | disclosed |