⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22401650 | 0.97 | — | — | |
| SCHEMBL21295446 | 0.73 | — | — | |
| SCHEMBL10690517 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL27512349 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL22401691 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL20609997 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL56629 | 0.65 | — | — | |
| SCHEMBL10013009 | 0.65 | TSHR (0.46) | — | |
| SCHEMBL16286978 | 0.65 | LMNA (0.42) | — | |
| SCHEMBL55485 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113631545-B | Polyisocyanurate materials as electrical potting compounds | 科思创德国股份有限公司 | 2025-01-07 | — | — | CN | disclosed |