⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3430424 | 0.83 | NPC1 (0.41) | — | |
| SCHEMBL7262015 | 0.72 | — | — | |
| SCHEMBL7249181 | 0.69 | NPSR1 (0.50) | — | |
| SCHEMBL4418275 | 0.69 | GLS (0.58) | — | |
| SCHEMBL855181 | 0.68 | — | — | |
| SCHEMBL2202430 | 0.65 | — | — | |
| SCHEMBL2441910 | 0.65 | — | — | |
| SCHEMBL11346046 | 0.65 | — | — | |
| SCHEMBL17028942 | 0.65 | KDM4E (0.39) | — | |
| SCHEMBL17028944 | 0.65 | KDM4E (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-2010146351-A1 | INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010017047-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |