⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11322956 | 0.82 | MEN1 (0.34) | — | |
| SCHEMBL4951096 | 0.81 | — | — | |
| SCHEMBL2616614 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL16675557 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL11311349 | 0.79 | CYP3A4 (0.50) | — | |
| SCHEMBL779576 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL923145 | 0.78 | — | — | |
| SCHEMBL209829 | 0.78 | TSHR (0.52) | — | |
| SCHEMBL11320135 | 0.77 | LPAR3 (0.47) | — | |
| SCHEMBL11308545 | 0.76 | TSHR (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104497039-A | Preparation method of amino-nitrile and intermediate for preparing glufosinate-ammonium | LIER CHEMICAL CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-101454362-A | Flameproof copolymer and flame retardant thermoplastic resin composition using thereof | CHEIL IND INC (KR) | 2009-06-10 | — | — | CN | disclosed |
| US-5006515-A | Immunology disorders, antitumor agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |
| EP-0244747-B1 | ETHYLENICALLY UNSATURATED PHOSPHINIC ACID OR THIOPHOSPHINIC ACID ISOCYANATES OR ISOTHIOCYANATES AND PROCESS FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-05-30 | — | — | EP | disclosed |
| US-4859795-A | Ethylenically unsaturated phosphinic acid and thiophosphinic acid isocyanates and isothiocyanates, and a process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-22 | — | — | US | disclosed |
| EP-0244747-A2 | Ethylenically unsaturated phosphinic acid or thiophosphinic acid isocyanates or isothiocyanates and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-11-11 | — | — | EP | disclosed |
| US-4257987-A | SYNERGISTIC ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-24 | — | — | US | disclosed |