⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7194892 | 0.80 | — | — | |
| SCHEMBL458360 | 0.78 | — | — | |
| SCHEMBL29042076 | 0.76 | — | — | |
| SCHEMBL18322544 | 0.76 | — | — | |
| SCHEMBL1954797 | 0.76 | — | — | |
| SCHEMBL874921 | 0.76 | — | — | |
| SCHEMBL62016 | 0.76 | — | — | |
| SCHEMBL3959834 | 0.74 | — | — | |
| SCHEMBL10458945 | 0.74 | TAAR1 (0.31) | — | |
| SCHEMBL10489476 | 0.74 | IDO1 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104363908-B | pyrrolidinyl heterocyclic | 霍夫曼-拉罗奇有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-102596941-A | Compounds for the treatment of dyslipidemia and related diseases | CADILA HEALTHCARE LTD | 2012-07-18 | — | — | CN | disclosed |
| CN-101098845-A | 6-phenylhex-5-enoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof | MERCK PATENT GMBH (DE) | 2008-01-02 | — | — | CN | disclosed |
| CN-101098844-A | Phenylbenzoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof | MERCK PATENT GMBH (DE) | 2008-01-02 | — | — | CN | disclosed |
| CN-100356917-C | Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes | HOFFMANN LA ROCHE (CH) | 2007-12-26 | — | — | CN | disclosed |
| CN-1938287-A | Phenoxyacetic acid derivative and medicine containing the same | DAIICHI SEIYAKU CO (JP) | 2007-03-28 | — | — | CN | disclosed |
| CN-1852901-A | Organic compounds | NOVARTIS AG (CH) | 2006-10-25 | — | — | CN | disclosed |
| US-4059615-A | INSECTICIDE, POLYMER INTERMEDIATE | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |