⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11223050 | 0.78 | — | — | |
| SCHEMBL27693382 | 0.67 | — | — | |
| SCHEMBL7955782 | 0.67 | — | — | |
| SCHEMBL6367143 | 0.65 | — | — | |
| SCHEMBL11229656 | 0.60 | — | — | |
| SCHEMBL15333204 | 0.60 | — | — | |
| SCHEMBL11216884 | 0.60 | — | — | |
| SCHEMBL10886022 | 0.59 | — | — | |
| SCHEMBL28561924 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL28425242 | 0.59 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |