⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18297844 | 0.80 | — | — | |
| SCHEMBL5353699 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL348204 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL3389388 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL135253 | 0.73 | — | — | |
| SCHEMBL187377 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL19031021 | 0.73 | — | — | |
| SCHEMBL9650624 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL4079952 | 0.73 | — | — | |
| SCHEMBL704794 | 0.71 | TSHR (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101472931-A | Organometallic compounds | PRAXAIR TECHNOLOGY INC (US) | 2009-07-01 | — | — | CN | claimed |
| CN-101472931-B | Organometallic compounds | PRAXAIR TECHNOLOGY INC | 2014-09-10 | — | — | CN | disclosed |
| CN-101472931-A | Organometallic compounds | PRAXAIR TECHNOLOGY INC (US) | 2009-07-01 | — | — | CN | disclosed |