⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12153701 | 0.79 | — | — | |
| SCHEMBL28991545 | 0.74 | — | — | |
| SCHEMBL17278963 | 0.72 | GPR3 (0.45) | — | |
| SCHEMBL17286462 | 0.70 | — | — | |
| SCHEMBL15891557 | 0.69 | MCHR1 (0.52) | — | |
| SCHEMBL16408468 | 0.68 | TSPO (0.54) | — | |
| Hydrochloric Acid SCHEMBL7429773 | 0.68 | HTR6 (0.51) | — | |
| SCHEMBL15891558 | 0.68 | MCHR1 (0.52) | — | |
| SCHEMBL21696319 | 0.67 | TSPO (0.59) | — | |
| SCHEMBL8791905 | 0.67 | — | — |
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-4028382-A | 9-Benzoyl,3-hydroxymethyl-1,2,3,4-tetrahydro-carbazole | STERLING DRUG INC. (US) | 1977-06-07 | — | — | US | disclosed |
| US-4001270-A | ANTIINFLAMMATORY, ANTIBACTERIAL | STERLING DRUG INC. (US) | 1977-01-04 | — | — | US | disclosed |