⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23494117 | 0.77 | — | — | |
| SCHEMBL12791695 | 0.76 | — | — | |
| SCHEMBL20656583 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL1592333 | 0.74 | NAAA (0.33) | — | |
| SCHEMBL4331183 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL12791706 | 0.74 | CYP3A4 (0.31) | — | |
| SCHEMBL12791684 | 0.74 | CYP3A4 (0.31) | — | |
| SCHEMBL6545295 | 0.74 | CYP3A4 (0.31) | — | |
| SCHEMBL258764 | 0.73 | — | — | |
| SCHEMBL454650 | 0.72 | THRB (0.30) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0100066-B1 | SURFACTANT-CONTAINING FILLED AND PLASTICIZED THERMOPLASTIC COMPOSITIONS BASED ON ETHYLENE INTERPOLYMERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-03-12 | — | — | EP | claimed |
| US-10793707-B2 | Composition with balance of dissipation factor and additive acceptance | DOW GLOBAL TECHNOLOGIES LLC (US) | 2020-10-06 | — | — | US | disclosed |
| US-20190270870-A1 | Composition with Balance of Dissipation Factor and Additive Acceptance | DOW CHEMICAL (CHINA) INVESTMENT COMPANY LIMITED (CN) | 2019-09-05 | — | — | US | disclosed |
| US-10385078-B2 | Crystalline forms of 5-chloro-N4-[-2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-YL) piperidin-1-YL]phenyl}pyrimidine-2,4-diamine | ARIAD PHARMACEUTICALS, INC. (US) | 2019-08-20 | — | — | US | disclosed |
| US-20180037597-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N4-[-2-(DIMETHYLPHOSPHORYL) PHENYL]-N2-{2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL) PIPERIDIN-1-YL] PYRIMIDINE-2,4-DIAMINE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-08 | — | — | US | disclosed |
| EP-2663553-B1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS | AMBIT BIOSCIENCES CORP (US) | 2015-08-26 | — | — | EP | disclosed |
| EP-2532659-A1 | Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy | Pathway Therapeutics, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| US-6572959-B1 | RF-sealable pillow pouch | CRYOVAC, INC. | 2003-06-03 | — | — | US | disclosed |
| EP-0115905-B1 | DIMENSIONALLY HEAT RECOVERABLE ARTICLE | RAYCHEM LIMITED (GB) | 1988-09-14 | — | — | EP | disclosed |