⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL421810 | 0.83 | CTSL (0.49) | — | |
| SCHEMBL5523304 | 0.82 | IDO1 (0.45) | — | |
| SCHEMBL8285775 | 0.81 | — | — | |
| SCHEMBL7305386 | 0.79 | HTR1A (0.51) | — | |
| SCHEMBL5846563 | 0.78 | EPHX2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL9343640 | 0.77 | HTR1A (0.50) | — | |
| SCHEMBL5521389 | 0.77 | SIGMAR1 (0.47) | — | |
| SCHEMBL5518965 | 0.77 | CARM1 (0.50) | — | |
| SCHEMBL5532610 | 0.75 | IDO1 (0.42) | — | |
| SCHEMBL7305776 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | US | disclosed |
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | US | disclosed |
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | US | disclosed |
| WO-2005080317-A2 | THERAPEUTIC AMIDE DERIVATIVES | PFIZER JAPAN, INC. (JP) | 2005-09-01 | — | — | WO | disclosed |