⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1177773 | 0.72 | — | — | |
| SCHEMBL277538 | 0.71 | — | — | |
| SCHEMBL18938764 | 0.67 | — | — | |
| SCHEMBL18938655 | 0.61 | — | — | |
| SCHEMBL8049697 | 0.59 | — | — | |
| SCHEMBL353919 | 0.59 | HSD11B1 (0.30) | — | |
| SCHEMBL3696888 | 0.59 | — | — | |
| SCHEMBL1177771 | 0.56 | — | — | |
| SCHEMBL2464341 | 0.55 | — | — | |
| SCHEMBL8572573 | 0.54 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117881662-A | Herbicide malonamide containing monocyclic heteroaromatic ring | 巴斯夫欧洲公司 | 2024-04-12 | — | — | CN | disclosed |
| US-9957248-B2 | Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) | 2018-05-01 | — | — | US | disclosed |
| US-20170166549-A1 | Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) | 2017-06-15 | — | — | US | disclosed |
| US-7652063-B2 | For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis | ALLERGAN, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| US-7238841-B2 | Polymer-supported phosphorus ligands for catalysts | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-07-03 | — | — | US | disclosed |
| US-7169807-B2 | 10-Hydroxy-11-dihydroprostaglandin analogs as selective EP4 agonists | ALLERGAN, INC. (US) | 2007-01-30 | — | — | US | disclosed |
| US-20070010495-A1 | 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS | ALLERGAN, INC. (US) | 2007-01-11 | — | — | US | disclosed |
| US-7098261-B2 | Polymer-supported phosphorus ligands for catalysis | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-08-29 | — | — | US | disclosed |
| WO-2005100339-A1 | 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS | ALLERGAN, INC. (US) | 2005-10-27 | — | — | WO | disclosed |
| US-20050228185-A1 | For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis | ALLERGAN, INC. (US) | 2005-10-13 | — | — | US | disclosed |
| US-6630604-B1 | Phosphine and phosphine oxide ligands are prepared using polymeric supports. These compounds can be easily cleaved from the support, and along with the corresponding supported compounds, used as ligands in the preparation of novel, | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-10-07 | — | — | US | disclosed |