⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL296486 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL7005271 | 0.67 | — | — | |
| SCHEMBL7560306 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL28632316 | 0.57 | TSHR (0.30) | — | |
| SCHEMBL4323430 | 0.54 | — | — | |
| SCHEMBL132040 | 0.54 | — | — | |
| SCHEMBL18271391 | 0.54 | — | — | |
| SCHEMBL1338769 | 0.53 | — | — | |
| Ammonia Solution, Strong SCHEMBL22720560 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL4322625 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5919933-A | PHOTOSTABILITY, OXIDATION RESISTANCE, RADIATION RESISTANCE, HEAT RESISTANCE | CLARIANT GMBH (DE) | 1999-07-06 | — | — | US | disclosed |
| US-5856385-A | CONTAINING DIBENZYLIDENESORBITOL | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-01-05 | — | — | US | disclosed |