⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL958545 | 0.81 | — | — | |
| SCHEMBL6363647 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL4780449 | 0.79 | RAB9A (0.60) | — | |
| SCHEMBL1556938 | 0.78 | — | — | |
| SCHEMBL15512235 | 0.78 | IDO1 (0.63) | — | |
| SCHEMBL4873752 | 0.78 | RAB9A (0.54) | — | |
| SCHEMBL4400464 | 0.78 | MAPT (0.53) | — | |
| SCHEMBL3600443 | 0.77 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL403275 | 0.77 | — | — | |
| SCHEMBL19080596 | 0.76 | SMN1; SMN2 (0.53) | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022040110-A2 | ALKYLATING AGENT AND COMBINATIONS IN THE TREATMENT OF IMMUNE-RELATED AND LIVER DISEASES, ALZHEIMER'S DISEASES AND FIBROSIS DISEASES | LIU SHENG (US) | 2022-02-24 | — | — | WO | claimed |
| US-10722530-B2 | Methods of diagnosing and treating cancer | CASE WESTERN RESERVE UNIVERSITY (US) | 2020-07-28 | — | — | US | claimed |
| US-10725042-B2 | Methods of diagnosing and treating cancer | CASE WESTERN RESERVE UNIVERSITY (US) | 2020-07-28 | — | — | US | claimed |
| US-20180185403-A1 | METHODS OF DIAGNOSING AND TREATING CANCER | CASE WESTERN RESERVE UNIVERSITY | 2018-07-05 | — | — | US | claimed |
| US-20170071965-A1 | ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER | UNIV CASE WESTERN RESERVE (US) | 2017-03-16 | — | — | US | claimed |
| US-9498489-B2 | Antimetabolite agent combinations in the treatment of cancer | CASE WESTERN RESERVE UNIVERSITY (US) | 2016-11-22 | — | — | US | claimed |
| US-8716346-B2 | Alkylating agent combinations in the treatment of cancer | CASE WESTERN RESERVE UNIVERSITY (US) | 2014-05-06 | — | — | US | claimed |
| US-20140066464-A1 | METHODS OF DIAGNOSING AND TREATING CANCER | CASE WESTERN RESERVE UNIVERSITY (US) | 2014-03-06 | — | — | US | claimed |
| US-8324282-B2 | Alkylating agent combinations in the treatment of cancer | CASE WESTERN RESERVE UNIVERSITY (US) | 2012-12-04 | — | — | US | claimed |
| US-20120065145-A1 | ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER | GERSON STANTON L (US) | 2012-03-15 | — | — | US | claimed |
| US-20100267657-A1 | ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER | CASE WESTERN RESERVE UNIVERSITY | 2010-10-21 | — | — | US | claimed |
| US-5849768-A | α-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-15 | — | — | US | claimed |
| EP-0529680-B1 | Intermediates, their production and their use for preparing alpha-unsaturated amines | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-05-13 | — | — | EP | claimed |
| EP-0302389-B1 | Alpha-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-12-22 | — | — | EP | claimed |
| EP-0529680-A2 | Intermediates, their production and their use for preparing alpha-unsaturated amines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-03 | — | — | EP | claimed |
| WO-2022040110-A2 | ALKYLATING AGENT AND COMBINATIONS IN THE TREATMENT OF IMMUNE-RELATED AND LIVER DISEASES, ALZHEIMER'S DISEASES AND FIBROSIS DISEASES | LIU SHENG (US) | 2022-02-24 | — | — | WO | disclosed |
| US-10722530-B2 | Methods of diagnosing and treating cancer | CASE WESTERN RESERVE UNIVERSITY (US) | 2020-07-28 | — | — | US | disclosed |
| US-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |
| EP-0302389-A2 | Alpha-unsaturated amines, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-08 | — | — | EP | disclosed |
| EP-0226896-A2 | Lankacidin derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-07-01 | — | — | EP | disclosed |