⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2028810 | 0.75 | PTGDR2 (0.32) | — | |
| SCHEMBL259895 | 0.67 | CALCRL (0.42) | — | |
| SCHEMBL7862920 | 0.59 | ALDH1A1 (0.42) | — | |
| SCHEMBL11605673 | 0.55 | CYP1A2 (0.48) | — | |
| SCHEMBL6526383 | 0.55 | CSNK2A2 (0.37) | — | |
| SCHEMBL2032749 | 0.55 | CSNK2A2 (0.43) | — | |
| SCHEMBL3507651 | 0.55 | CSNK2A2 (0.43) | — | |
| SCHEMBL10517911 | 0.55 | MAPT (0.33) | — | |
| SCHEMBL7336986 | 0.55 | KDM4E (0.45) | — | |
| SCHEMBL11397353 | 0.53 | ALDH1A1 (0.41) | — |
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-8163752-B2 | Tricyclic anilide heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8133891-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-03-13 | — | — | US | disclosed |