⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7542937 | 0.79 | TDP1 (0.50) | — | |
| SCHEMBL147615 | 0.79 | CES2 (0.56) | — | |
| SCHEMBL7542933 | 0.79 | TDP1 (0.50) | — | |
| SCHEMBL717977 | 0.77 | TDP1 (0.56) | — | |
| SCHEMBL6401253 | 0.77 | TDP1 (0.56) | — | |
| SCHEMBL6046218 | 0.77 | TDP1 (0.56) | — | |
| SCHEMBL688558 | 0.76 | — | — | |
| SCHEMBL424294 | 0.76 | — | — | |
| SCHEMBL736 | 0.73 | — | — | |
| SCHEMBL28153008 | 0.73 | — | — |
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-20090137774-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1930327-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2008-06-11 | — | — | EP | disclosed |
| US-6794530-B1 | 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| EP-0934925-B1 | Process for the preparation of beta-alkoxy nitriles | BASF AG (DE) | 2002-09-25 | — | — | EP | disclosed |
| EP-0934925-A1 | Process for the preparation of beta-alkoxy nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-11 | — | — | EP | disclosed |