⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12122420 | 1.00 | — | — | |
| SCHEMBL1329632 | 1.00 | — | — | |
| SCHEMBL12122478 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL12122432 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL1329940 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL11352423 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL1977880 | 0.85 | — | — | |
| SCHEMBL1821872 | 0.76 | — | — | |
| SCHEMBL599901 | 0.76 | TSHR (0.47) | — | |
| SCHEMBL2631501 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102372810-A | Method for preparing isomonoolefin-multiolefin copolymer | CHINA PETROLEUM & CHEMICAL | 2012-03-14 | — | — | CN | disclosed |
| CN-102372822-A | Method for preparing isomonoolefin-multiolefin copolymer | CHINA PETROLEUM & CHEMICAL | 2012-03-14 | — | — | CN | disclosed |
| US-20110282075-A1 | METHOD FOR PREPARING VITTATALACTONE | ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) | 2011-11-17 | — | — | US | disclosed |
| US-20110282075-A1 | METHOD FOR PREPARING VITTATALACTONE | ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) | 2011-11-17 | — | — | US | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |
| EP-0000771-B1 | 2,5,7-TRIMETHYLOCTANE-3-OL AND 2,4-DIMETHYLNONANE-8-OL; PROCESSES FOR THEIR PREPARATION; THEIR USE AS OLFACTORY AGENTS; OLFACTORY COMPOSITIONS CONTAINING THEM, AS WELL AS THE PREPARATION OF SUCH OLFACTORY COMPOSITIONS | L. Givaudan & Cie Société Anonyme (CH) | 1981-09-16 | — | — | EP | disclosed |
| US-4198532-A | 2,5,7-TIRMETHYL-OCTAN-3-OL OR 6,8-DIMETHYL-NONAN-2-OL | GIVAUDAN CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |
| EP-0000771-A2 | 2,5,7-Trimethyloctane-3-ol and 2,4-dimethylnonane-8-ol; processes for their preparation; their use as olfactory agents; olfactory compositions containing them, as well as the preparation of such olfactory compositions | L. Givaudan & Cie Société Anonyme (CH) | 1979-02-21 | — | — | EP | disclosed |