⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10534726 | 0.89 | — | — | |
| SCHEMBL692532 | 0.77 | — | — | |
| SCHEMBL7634027 | 0.77 | — | — | |
| SCHEMBL10822980 | 0.72 | — | — | |
| SCHEMBL7631863 | 0.71 | — | — | |
| SCHEMBL9736351 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11422745 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL14105357 | 0.68 | — | — | |
| SCHEMBL8007242 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL8007238 | 0.68 | ALDH1A1 (0.32) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110621715-B | Polyisocyanate (p) and process for preparing same | 巴斯夫欧洲公司 | 2022-03-22 | — | — | CN | claimed |
| EP-3625280-B1 | POLYISOCYANATE (P) AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2021-07-07 | — | — | EP | claimed |
| US-20200148809-A1 | PROCESS FOR THE PREPARATION OF ALICYCLIC POLYISOCYANATE | BASF SE (DE) | 2020-05-14 | — | — | US | claimed |
| EP-3625280-A1 | POLYISOCYANATE (P) AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2020-03-25 | — | — | EP | claimed |
| CN-110621715-A | Polyisocyanate (p) and process for preparing same | 巴斯夫欧洲公司 | 2019-12-27 | — | — | CN | claimed |
| CN-110621715-B | Polyisocyanate (p) and process for preparing same | 巴斯夫欧洲公司 | 2022-03-22 | — | — | CN | disclosed |
| EP-3625280-B1 | POLYISOCYANATE (P) AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2021-07-07 | — | — | EP | disclosed |
| US-20200148809-A1 | PROCESS FOR THE PREPARATION OF ALICYCLIC POLYISOCYANATE | BASF SE (DE) | 2020-05-14 | — | — | US | disclosed |
| EP-3625280-A1 | POLYISOCYANATE (P) AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2020-03-25 | — | — | EP | disclosed |
| CN-110621715-A | Polyisocyanate (p) and process for preparing same | 巴斯夫欧洲公司 | 2019-12-27 | — | — | CN | disclosed |
| US-10464948-B2 | Polycyclic diiminooxadiazinones | COVESTRO DEUTSCHLAND AG (DE) | 2019-11-05 | — | — | US | disclosed |
| US-20180346482-A1 | POLYCYCLIC DIIMINOOXADIAZINONES | COVESTRO DEUTSCHLAND AG (DE) | 2018-12-06 | — | — | US | disclosed |
| EP-3409675-A1 | POLYCYCLIC DIIMINOOXADIAZINONES | Covestro Deutschland AG (DE) | 2018-12-05 | — | — | EP | disclosed |
| EP-0761670-B1 | Polycyclic Iminoxadiazindiones, their preparation and use | BAYER AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| EP-0727453-B1 | Isocyanurate polyisocyanates made from 1,3-diisocyanatecycloalcanes | BAYER AG (DE) | 1998-05-20 | — | — | EP | disclosed |
| US-5717091-A | CROSSLINKED HARD COATING | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-10 | — | — | US | disclosed |
| EP-0761670-A2 | Polycyclic Iminoxadiazindiones, their preparation and use | BAYER AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| EP-0727453-A1 | Isocyanurate polyisocyanates made from 1,3-diisocyanatecycloalcanes | BAYER AG (DE) | 1996-08-21 | — | — | EP | disclosed |
| US-4849544-A | STERIC HINDRANCE; POLYUREA, POLYURETHANE AND EPOXY RESIN INTERMEDIATES | ETHYL CORPORATION (US) | 1989-07-18 | — | — | US | disclosed |