⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1791308 | 0.93 | — | — | |
| SCHEMBL27141559 | 0.90 | DPP7 (0.33) | — | |
| SCHEMBL27142083 | 0.90 | DPP7 (0.33) | — | |
| SCHEMBL27141819 | 0.90 | DPP7 (0.33) | — | |
| SCHEMBL5965075 | 0.90 | — | — | |
| SCHEMBL7039017 | 0.90 | DPP7 (0.33) | — | |
| SCHEMBL15542441 | 0.90 | DPP7 (0.33) | — | |
| SCHEMBL93547 | 0.86 | — | — | |
| Butadiene SCHEMBL9711293 | 0.83 | — | — | |
| SCHEMBL18711238 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| EP-0525878-B1 | Dialkylidenecyclobutane/bisimide compositions | SHELL INT RESEARCH (NL) | 1995-10-04 | — | — | EP | disclosed |
| EP-0656020-A1 | DIALKYLIDENECYCLOBUTANE/BISIMIDE/EPOXY COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1995-06-07 | — | — | EP | disclosed |
| EP-0525878-A2 | Dialkylidenecyclobutane/bisimide compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-02-03 | — | — | EP | disclosed |
| US-5147953-A | High glass transition temperature; waterproof, toughness | SHELL OIL COMPANY (US) | 1992-09-15 | — | — | US | disclosed |
| US-4031152-A | Preparation of derivatives of cyclobutane and cyclobutene | SHELL OIL COMPANY (US) | 1977-06-21 | — | — | US | disclosed |
| US-3965204-A | LEWIS ACID | SHELL OIL COMPANY (US) | 1976-06-22 | — | — | US | disclosed |