⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3378842 | 0.78 | — | — | |
| SCHEMBL11729371 | 0.78 | — | — | |
| SCHEMBL9628957 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL29424384 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL7526128 | 0.75 | — | — | |
| SCHEMBL122748 | 0.75 | — | — | |
| SCHEMBL7528871 | 0.75 | — | — | |
| SCHEMBL11680515 | 0.74 | — | — | |
| SCHEMBL790589 | 0.73 | — | — | |
| SCHEMBL14040713 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |
| EP-2336341-A1 | Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step | Marliere, Philippe (FR) | 2011-06-22 | — | — | EP | disclosed |
| EP-0575816-B1 | Light-absorbing compound and optical recording medium containing same | MITSUI CHEMICALS INC (JP) | 1999-09-22 | — | — | EP | disclosed |
| EP-0619345-B1 | Phthalocyanine compound and optical recording medium containing it | MITSUI CHEMICALS INC (JP) | 1999-08-25 | — | — | EP | disclosed |
| US-5750229-A | Phthalocyanine compound and optical recording medium containing it | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-05-12 | — | — | US | disclosed |
| US-5646273-A | FOR USE IN OPTICAL DISKS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-08 | — | — | US | disclosed |
| US-5446142-A | Having one or more alkyl-or alkylenyloxy substituents; accuracy; high density and high speed recording; lasers; sensitivity; storage stability | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-08-29 | — | — | US | disclosed |
| EP-0619345-A1 | Phthalocyanine compound and optical recording medium containing it | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-10-12 | — | — | EP | disclosed |
| EP-0575816-A1 | Light-absorbing compound and optical recording medium containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-12-29 | — | — | EP | disclosed |
| US-4111917-A | POLYURETHANES | W. R. GRACE & CO. (US) | 1978-09-05 | — | — | US | disclosed |