⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15417667 | 0.67 | GAA (0.35) | — | |
| SCHEMBL15415389 | 0.67 | PDE10A (0.32) | — | |
| SCHEMBL15415388 | 0.63 | CYP1A2 (0.30) | — | |
| SCHEMBL10673560 | 0.63 | PIM1 (0.31) | — | |
| SCHEMBL20798441 | 0.63 | FASN (0.36) | — | |
| SCHEMBL15540826 | 0.62 | — | — | |
| SCHEMBL23325059 | 0.61 | OPRL1 (0.41) | — | |
| SCHEMBL19410904 | 0.60 | — | — | |
| SCHEMBL21598395 | 0.60 | PIM1 (0.31) | — | |
| SCHEMBL3953611 | 0.60 | KMT2A (0.38) | — |
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-8455477-B2 | Therapeutic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110207711-A1 | Therapeutic Compounds | MSD K.K. (JP) | 2011-08-25 | — | — | US | disclosed |
| EP-2320907-A1 | THERAPEUTIC COMPOUNDS | Merck & Co., Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010017047-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |