⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12331443 | 1.00 | — | — | |
| SCHEMBL2528275 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7823405 | 0.97 | — | — | |
| SCHEMBL433263 | 0.92 | — | — | |
| SCHEMBL433262 | 0.92 | — | — | |
| SCHEMBL16738315 | 0.92 | — | — | |
| SCHEMBL11610976 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL11610970 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL11610971 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL13482062 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180072761-A1 | TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING | UNIVERSITY OF DELAWARE (US) | 2018-03-15 | — | — | US | disclosed |
| US-20180072761-A1 | TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING | UNIVERSITY OF DELAWARE (US) | 2018-03-15 | — | — | US | disclosed |
| WO-2016164565-A1 | TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING | UNIVERSITY OF DELAWARE (US) | 2016-10-13 | — | — | WO | disclosed |