⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28936008 | 0.97 | — | — | |
| SCHEMBL8009 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL866240 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL16110998 | 0.85 | — | — | |
| SCHEMBL3143889 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL30621784 | 0.72 | CA2 (0.34) | — | |
| SCHEMBL1041150 | 0.72 | CA2 (0.34) | — | |
| SCHEMBL7081970 | 0.72 | — | — | |
| SCHEMBL6971201 | 0.71 | — | — | |
| SCHEMBL19546337 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012169909-A1 | TRIAMINOCYCLOPROPENIUM SALTS | CURNOW OWEN JOHN (NZ) | 2012-12-13 | — | — | WO | claimed |
| EP-2593107-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-05-22 | — | — | EP | disclosed |
| US-20130116231-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2013-05-09 | — | — | US | disclosed |
| WO-2012169909-A1 | TRIAMINOCYCLOPROPENIUM SALTS | CURNOW OWEN JOHN (NZ) | 2012-12-13 | — | — | WO | disclosed |
| WO-2012009194-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |