⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7809933 | 0.82 | — | — | |
| SCHEMBL5879396 | 0.70 | SIGMAR1 (0.36) | — | |
| SCHEMBL7137116 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL6955463 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL6986308 | 0.63 | TSHR (0.40) | — | |
| SCHEMBL11536457 | 0.61 | CASP1 (0.37) | — | |
| SCHEMBL8445608 | 0.60 | TSHR (0.40) | — | |
| SCHEMBL7077078 | 0.60 | SLC6A2 (0.32) | — | |
| SCHEMBL7957554 | 0.60 | SLC6A2 (0.32) | — | |
| SCHEMBL8445605 | 0.58 | CASP1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5968923-A | ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS | PFIZER INC. (US) | 1999-10-19 | — | — | US | disclosed |
| WO-1996005193-A1 | (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS | PFIZER LIMITED (GB) | 1996-02-22 | — | — | WO | disclosed |