⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9359592 | 0.97 | MEN1 (0.67) | — | |
| SCHEMBL15193 | 0.97 | — | — | |
| SCHEMBL29371456 | 0.97 | — | — | |
| SCHEMBL11734134 | 0.95 | — | — | |
| Iodide SCHEMBL10987579 | 0.95 | MEN1 (0.64) | — | |
| Iodide SCHEMBL1274592 | 0.95 | — | — | |
| Iodide SCHEMBL10987591 | 0.95 | MEN1 (0.64) | — | |
| Phosphine SCHEMBL3755463 | 0.95 | — | — | |
| SCHEMBL17201491 | 0.95 | — | — | |
| SCHEMBL7621695 | 0.95 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276633-B2 | Method for production naphthalene derivatives | MERCK PATENT GMBH (DE) | 2007-10-02 | — | — | US | claimed |
| US-20060025615-A1 | Method for production naphthalene derivatives | MERCK PATENT GMBH (DE) | 2006-02-02 | — | — | US | claimed |
| US-20030069433-A1 | Producing liquid crystals with cf2o bond | MERCK PATENT GMBH (DE) | 2003-04-10 | — | — | US | claimed |
| US-7276633-B2 | Method for production naphthalene derivatives | MERCK PATENT GMBH (DE) | 2007-10-02 | — | — | US | disclosed |
| US-20060025615-A1 | Method for production naphthalene derivatives | MERCK PATENT GMBH (DE) | 2006-02-02 | — | — | US | disclosed |