⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27083581 | 0.96 | — | — | |
| SCHEMBL1142231 | 0.90 | CD81 (0.31) | — | |
| SCHEMBL28431090 | 0.90 | CD81 (0.31) | — | |
| SCHEMBL10346801 | 0.82 | CD81 (0.30) | — | |
| Malonic Acid SCHEMBL10783258 | 0.82 | LDHA (0.35) | — | |
| Succinic Acid SCHEMBL10783771 | 0.82 | LMNA (0.38) | — | |
| SCHEMBL9815128 | 0.80 | — | — | |
| Adipic Acid SCHEMBL10786137 | 0.79 | LMNA (0.39) | — | |
| SCHEMBL8583779 | 0.79 | — | — | |
| SCHEMBL8977479 | 0.78 | CD81 (0.33) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4620993-A1 | ISOCYANATE COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Wanhua Chemical Group Co., Ltd. (CN) | 2025-09-24 | — | — | EP | disclosed |
| US-20170066949-A1 | LAMINATE ADHESIVE, METHOD FOR PRODUCING LAMINATE FILM, LAMINATE FILM, AND RETORT POUCH MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2017-03-09 | — | — | US | disclosed |
| US-9477012-B2 | 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | MITSUI CHEMICALS, INC. (JP) | 2016-10-25 | — | — | US | disclosed |
| US-9475903-B2 | 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | MITSUI CHEMICALS, INC. (JP) | 2016-10-25 | — | — | US | disclosed |
| US-9376404-B2 | Pentamethylene diisocyanate, method for producing pentamethylene diisocyanate, polyisocyanate composition, polyurethane resin, and polyurea resin | MITSUI CHEMICALS, INC. (JP) | 2016-06-28 | — | — | US | disclosed |
| US-20160090368-A1 | PENTAMETHYLENEDIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENEDIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN | MITSUI CHEMICALS, INC. (JP) | 2016-03-31 | — | — | US | disclosed |
| US-20160083503-A1 | PENTAMETHYLENEDIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENEDIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN | MITSUI CHEMICALS, INC. (JP) | 2016-03-24 | — | — | US | disclosed |
| US-20150346387-A1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS | MITSUI CHEMICALS, INC. (JP) | 2015-12-03 | — | — | US | disclosed |
| US-20150342276-A1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS | MITSUI CHEMICALS, INC. (JP) | 2015-12-03 | — | — | US | disclosed |
| US-9200179-B2 | Polyurethane dispersion and method for producing the same | MITSUI CHEMICALS, INC. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-8722752-B2 | Polyurethane resin | MITSUI CHEMICALS, INC. (JP) | 2014-05-13 | — | — | US | disclosed |
| EP-2105452-B1 | AQUEOUS URETHANE RESIN COMPOSITION | MITSUI CHEMICALS INC (JP) | 2013-03-20 | — | — | EP | disclosed |
| US-8044163-B2 | Aqueous polyurethane resin | MITSUI CHEMICALS, INC. (JP) | 2011-10-25 | — | — | US | disclosed |
| US-20100216905-A1 | POLYURETHANE RESIN | MITSUI CHEMICALS, INC. | 2010-08-26 | — | — | US | disclosed |
| US-20090312515-A1 | AQUEOUS POLYURETHANE RESIN | MITSUI CHEMICALS, INC. (JP) | 2009-12-17 | — | — | US | disclosed |
| EP-2105452-A1 | AQUEOUS URETHANE RESIN COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2009-09-30 | — | — | EP | disclosed |