⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL925633 | 0.67 | HTR2A (0.32) | — | |
| SCHEMBL5494672 | 0.62 | TSHR (0.45) | — | |
| SCHEMBL37955 | 0.62 | TSHR (0.45) | — | |
| SCHEMBL14951193 | 0.62 | NOS3 (0.33) | — | |
| SCHEMBL1005445 | 0.62 | ALDH1A1 (0.43) | — | |
| SCHEMBL5181689 | 0.59 | TSHR (0.43) | — | |
| SCHEMBL10346182 | 0.59 | TSHR (0.43) | — | |
| SCHEMBL571577 | 0.59 | TSHR (0.43) | — | |
| SCHEMBL1156306 | 0.59 | CA2 (0.43) | — | |
| Ethylenediamine SCHEMBL18725865 | 0.56 | TAAR1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1965915-B1 | SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS | RAPP POLYMERE GMBH (DE) | 2014-08-13 | — | — | EP | disclosed |
| US-20110009621-A1 | SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS | Raap Polymere GmbH (DE) | 2011-01-13 | — | — | US | disclosed |