⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1491254 | 0.83 | APP (0.52) | — | |
| SCHEMBL28704557 | 0.81 | APP (0.50) | — | |
| SCHEMBL5169367 | 0.79 | APP (0.48) | — | |
| SCHEMBL1487192 | 0.78 | LMNA (0.43) | — | |
| SCHEMBL21623887 | 0.78 | — | — | |
| SCHEMBL356494 | 0.78 | — | — | |
| SCHEMBL5148884 | 0.76 | TP53 (0.50) | — | |
| SCHEMBL9193067 | 0.76 | PMP22 (0.59) | — | |
| SCHEMBL9321261 | 0.76 | BLM (0.42) | — | |
| SCHEMBL7160448 | 0.76 | LMNA (0.42) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103897130-B | Hyperbranched polyisocyanates of a kind of aqueous dispersion type and preparation method thereof | WUHAN SHIQUANXING POLYURETHANE TECHNOLOGY CO., LTD. (CN) | 2016-01-13 | — | — | CN | claimed |
| CN-114702636-A | Self-repairing polyurethane resin raw material, self-repairing polyurethane resin, self-repairing coating material and self-repairing elastomer material | 三井化学株式会社 | 2022-07-05 | — | — | CN | disclosed |
| CN-107325262-B | Blocked isocyanate, coating composition, adhesive composition, and article | 三井化学株式会社 | 2020-11-06 | — | — | CN | disclosed |
| US-10227468-B2 | Polyurethane resin | MITSUI CHEMICALS, INC. (JP) | 2019-03-12 | — | — | US | disclosed |
| US-9796824-B2 | Polyurethane resin | MITSUI CHEMICALS, INC. (JP) | 2017-10-24 | — | — | US | disclosed |
| US-20170183443-A1 | POLYURETHANE RESIN | MITSUI CHEMICALS, INC. (JP) | 2017-06-29 | — | — | US | disclosed |
| CN-104781229-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | 三井化学株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-105017080-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, spectacle material, spectacle frame, and lens | 三井化学株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-103641989-B | Polyurethane resin | MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) | 2016-05-18 | — | — | CN | disclosed |
| CN-103347852-B | Pentanediisocyanate, process for producing pentamethylenediisocyanate, polyisocyanate composition, polyurethane resin, and polyurea resin | MITSUI CHEMICALS, INC. (JP) | 2016-04-13 | — | — | CN | disclosed |
| US-8722752-B2 | Polyurethane resin | MITSUI CHEMICALS, INC. (JP) | 2014-05-13 | — | — | US | disclosed |
| CN-103641989-A | Polyurethane resin | MITSUI CHEMICALS POLYURETHANES | 2014-03-19 | — | — | CN | disclosed |
| US-8636839-B2 | Ink jet ink, ink cartridge, and ink jet recording method | CANON KABUSHIKI KAISHA (JP) | 2014-01-28 | — | — | US | disclosed |
| US-20130324631-A1 | POLYURETHANE RESIN | KUWAMURA GORO (JP) | 2013-12-05 | — | — | US | disclosed |
| EP-2204395-B1 | POLYURETHANE RESIN | MITSUI CHEMICALS INC (JP) | 2013-10-09 | — | — | EP | disclosed |
| CN-103347852-A | Pentanediisocyanate, process for producing pentamethylenediisocyanate, polyisocyanate composition, polyurethane resin, and polyurea resin | MITSU CHEMICALS INC | 2013-10-09 | — | — | CN | disclosed |
| US-20110143040-A1 | INK JET INK, INK CARTRIDGE, AND INK JET RECORDING METHOD | CANON KABUSHIKI KAISHA (JP) | 2011-06-16 | — | — | US | disclosed |
| CN-101821309-A | Polyurethane resin | MITSUI CHEMICALS POLYURETHANES | 2010-09-01 | — | — | CN | disclosed |
| US-20100216905-A1 | POLYURETHANE RESIN | MITSUI CHEMICALS, INC. | 2010-08-26 | — | — | US | disclosed |
| EP-2204395-A1 | POLYURETHANE RESIN | Mitsui Chemicals, Inc. (JP) | 2010-07-07 | — | — | EP | disclosed |