⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL113032 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL9396819 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL17669853 | 0.75 | — | — | |
| Methylsulfanylmethane SCHEMBL27992813 | 0.73 | — | — | |
| SCHEMBL7006437 | 0.72 | — | — | |
| SCHEMBL8396732 | 0.72 | — | — | |
| SCHEMBL27752967 | 0.71 | TSHR (0.32) | — | |
| Cyclohexane SCHEMBL3104381 | 0.70 | — | — | |
| Water SCHEMBL1325514 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7006678 | 0.70 | — | — |
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-20080131420-A1 | METHODS AND COMPOSITIONS FOR TREATING MUCOSAL INFLAMMATION | ACCENTIA, INC. (US) | 2008-06-05 | — | — | US | disclosed |
| US-5879663-A | Dental composition for dentin hypersensitivity | SUN MEDICAL CO., LTD. (JP) | 1999-03-09 | — | — | US | disclosed |