⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102913 | 0.94 | — | — | |
| SCHEMBL27140906 | 0.91 | DPP7 (0.41) | — | |
| SCHEMBL27147801 | 0.91 | DPP7 (0.41) | — | |
| SCHEMBL27140942 | 0.91 | DPP7 (0.41) | — | |
| SCHEMBL101913 | 0.91 | — | — | |
| SCHEMBL27137295 | 0.91 | DPP7 (0.41) | — | |
| SCHEMBL9810947 | 0.84 | — | — | |
| Ethane SCHEMBL9862089 | 0.84 | — | — | |
| Carbon Monoxide SCHEMBL8018438 | 0.79 | — | — | |
| SCHEMBL27143448 | 0.77 | — | — |
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-116396278-A | Carbazole derivatives as dopamine D3 receptor selectivity modulators | 北京大学 | 2023-07-07 | — | — | CN | claimed |
| WO-2024043341-A1 | CYCLOALKYNE DERIVATIVE | ペプチドリーム株式会社 | 2024-02-29 | — | — | WO | disclosed |
| US-20230250047-A1 | METHOD FOR ISOMERIZING ALIPHATIC DIAMINE, METHOD FOR PRODUCING DIISOCYANATE, METHOD FOR PRODUCING POLYURETHANE, AND POLYURETHANE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2023-08-10 | — | — | US | disclosed |
| CN-116396278-A | Carbazole derivatives as dopamine D3 receptor selectivity modulators | 北京大学 | 2023-07-07 | — | — | CN | disclosed |
| EP-4180415-A1 | ALIPHATIC DIAMINE ISOMERIZATION METHOD, DIISOCYANATE PRODUCTION METHOD, POLYURETHANE PRODUCTION METHOD, AND POLYURETHANE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2023-05-17 | — | — | EP | disclosed |
| CN-115768742-A | Method for isomerizing aliphatic diamine, method for producing diisocyanate, method for producing polyurethane, and polyurethane | 三菱瓦斯化学株式会社 | 2023-03-07 | — | — | CN | disclosed |
| US-7829350-B2 | Magnetic particle aggregates for use in the purification and extraction of nucleic acids and proteins, in vitro or as magnetic resonance (MR) contrast agents to detect target molecules in living organisms | THE GENERAL HOSPITAL CORPORATION (US) | 2010-11-09 | — | — | US | disclosed |
| US-20020022014-A1 | COMPOSITIONS AND METHODS FOR DELOUSING | DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) | 2002-02-21 | — | — | US | disclosed |