⚠ 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL6362858 | 1.00 | — | — | |
| Cyclopropane SCHEMBL247293 | 1.00 | — | — | |
| Cyclopropane SCHEMBL10596924 | 1.00 | — | — | |
| Cyclohexane SCHEMBL11564271 | 1.00 | ALDH1A1 (0.30) | — | |
| Cyclopentane SCHEMBL661225 | 1.00 | ALDH1A1 (0.30) | — | |
| Cyclohexane SCHEMBL48514 | 1.00 | ALDH1A1 (0.30) | — | |
| Cycloheptane SCHEMBL8811487 | 1.00 | ALDH1A1 (0.30) | — | |
| Cycloheptane SCHEMBL4048765 | 1.00 | ALDH1A1 (0.30) | — | |
| Cyclopentane SCHEMBL7267488 | 1.00 | ALDH1A1 (0.30) | — | |
| SCHEMBL890420 | 1.00 | ALDH1A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116917364-A | Low viscosity catalyst composition for producing isocyanurate polymers | 科思创德国股份有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-114040934-A | Polymerizable composition for producing polyisocyanurate-based plastics having extended pot life | 科思创知识产权两合公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-106232667-B | Polyiso-ureas | 巴斯夫欧洲公司 | 2020-01-07 | — | — | CN | disclosed |
| US-20080069892-A1 | Powder Formulations | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2008-03-20 | — | — | US | disclosed |
| US-4794154-A | BECOMES UNBLOCKED AT LOW TEMPERATURE | BASF CORPORATION (US) | 1988-12-27 | — | — | US | disclosed |