⚠ 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 | |
|---|---|---|---|---|
| Azetidine SCHEMBL28328821 | 0.93 | — | — | |
| Azetidine SCHEMBL12502 | 0.93 | — | — | |
| Pyrrolidine SCHEMBL3410312 | 0.88 | — | — | |
| Pyrrolidine SCHEMBL28515458 | 0.88 | ALDH1A1 (0.80) | — | |
| Pyrrolidine SCHEMBL28472533 | 0.88 | ALDH1A1 (0.80) | — | |
| Azetidine SCHEMBL23754598 | 0.86 | — | — | |
| Azetidine SCHEMBL8051426 | 0.86 | — | — | |
| Azetidine SCHEMBL2004110 | 0.86 | — | — | |
| Azetidine SCHEMBL5747121 | 0.86 | — | — | |
| Azetidine SCHEMBL17460187 | 0.86 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232600-B | Indolin-2-one and 1,3- dihydro-pyrrole simultaneously [3,2-c] pyridin-2-ones derivative | 豪夫迈·罗氏有限公司 | 2019-05-14 | — | — | CN | disclosed |
| CN-109476637-A | heterocyclic Prolinamide derivatives | 奥瑞恩眼科有限责任公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-107406373-A | Boron-containing diacylhydrazine compounds | 英特瑞克斯顿股份有限公司 | 2017-11-28 | — | — | CN | disclosed |
| EP-0797618-A4 | COLOR STABILIZATION OF AQUEOUS HETEROCYCLIC COPOLYMER | ISP INVESTMENTS INC (US) | 1998-04-08 | — | — | EP | disclosed |
| EP-0797618-A1 | COLOR STABILIZATION OF AQUEOUS HETEROCYCLIC COPOLYMER | ISP INVESTMENTS INC. (US) | 1997-10-01 | — | — | EP | disclosed |
| US-5604275-A | INCLUDING NITROGEN-CONTAINING TRIVALENT BORON COMPLEXED COMPOUND | ISP INVESTMENTS INC. (US) | 1997-02-18 | — | — | US | disclosed |
| US-5534564-A | PREVENTING DISCOLORATION OF VINYLPYRROLIDONE COPOLYMERS | ISP INVESTMENTS INC. (US) | 1996-07-09 | — | — | US | disclosed |
| WO-1996018673-A1 | COLOR STABILIZATION OF AQUEOUS HETEROCYCLIC COPOLYMER | ISP INVESTMENTS INC. (US) | 1996-06-20 | — | — | WO | disclosed |