⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13328090 | 0.80 | LDHA (0.48) | — | |
| SCHEMBL23852171 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5264034 | 0.76 | NNMT (0.43) | — | |
| SCHEMBL28557056 | 0.76 | DDT (0.62) | — | |
| SCHEMBL13360245 | 0.76 | LDHA (0.46) | — | |
| SCHEMBL29186263 | 0.75 | NAPRT (0.45) | — | |
| SCHEMBL13360236 | 0.71 | CA1 (0.45) | — | |
| SCHEMBL130507 | 0.70 | LDHA (0.41) | — | |
| SCHEMBL8874248 | 0.70 | LDHA (0.72) | — | |
| SCHEMBL31032102 | 0.69 | POLQ (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2846801-A1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2015-03-18 | — | — | EP | disclosed |
| EP-2846798-A2 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2015-03-18 | — | — | EP | disclosed |
| WO-2013169574-A2 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| WO-2013169563-A1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| EP-2637656-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064911-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |