⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6053504 | 1.00 | — | — | |
| SCHEMBL8688846 | 1.00 | — | — | |
| SCHEMBL6053376 | 0.80 | — | — | |
| SCHEMBL28179610 | 0.79 | — | — | |
| SCHEMBL2315623 | 0.79 | — | — | |
| SCHEMBL1392322 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL27466073 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL10514706 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8686133 | 0.76 | — | — | |
| SCHEMBL19420076 | 0.76 | — | — |
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-5731318-A | NEUROLOGICAL DISORDERS | BOEHRINGER INGELHEIM KG (DE) | 1998-03-24 | — | — | US | disclosed |
| US-5607941-A | BENZOMORPHAN DERIVATIVES | BOEHRINGER INGELHEIM KG (DE) | 1997-03-04 | — | — | US | disclosed |