⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16031415 | 0.70 | — | — | |
| SCHEMBL6434952 | 0.64 | — | — | |
| SCHEMBL16666802 | 0.64 | — | — | |
| SCHEMBL314943 | 0.61 | — | — | |
| SCHEMBL7066472 | 0.61 | — | — | |
| SCHEMBL23451722 | 0.57 | — | — | |
| SCHEMBL6014696 | 0.57 | — | — | |
| SCHEMBL25249999 | 0.56 | — | — | |
| SCHEMBL25328849 | 0.56 | — | — | |
| SCHEMBL997674 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670151-B2 | Tetralin and indane derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-20150266817-A1 | TETRALIN AND INDANE DERIVATIVES AND USES THEREOF | ROCHE PALO ALTO LLC (US) | 2015-09-24 | — | — | US | disclosed |
| CN-1067384-C | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2001-06-20 | — | — | CN | disclosed |
| CN-1054598-C | Pharmacologically active hydrazine derivatives and processes for preparation thereof | NORVATIS CO (CH) | 2000-07-19 | — | — | CN | disclosed |
| CN-1130626-A | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 1996-09-11 | — | — | CN | disclosed |
| CN-1068333-A | Has hydrazine analog derivative of pharmacologically active and preparation method thereof | CIBA GEIGY AG (CH) | 1993-01-27 | — | — | CN | disclosed |