⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11605327 | 0.86 | GRIN1 (0.41) | — | |
| SCHEMBL761689 | 0.72 | — | — | |
| SCHEMBL16498173 | 0.72 | — | — | |
| SCHEMBL24782527 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29127408 | 0.70 | GRIN1 (0.37) | — | |
| SCHEMBL24851905 | 0.70 | — | — | |
| SCHEMBL8998692 | 0.70 | GRIN1 (0.37) | — | |
| SCHEMBL16478701 | 0.70 | — | — | |
| SCHEMBL15730944 | 0.68 | — | — | |
| SCHEMBL18666746 | 0.68 | — | — |
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-4067985-A | IMMUNOSUPPRESSIVE, SEDATIVE, ANTITUMOR | CHEMIE GRUNENTHAL GMBH (DT) | 1978-01-10 | — | — | US | disclosed |
| US-3951985-A | SUBSTITUTED ORTHO-SULFOBENZOIC ACID IMIDO PYRROLIDONE, PIPERIDONE OR CAPROLACTAM | CHEMIE GRUNENTHAL GMBH (DT) | 1976-04-20 | — | — | US | disclosed |