⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44131 | 0.64 | — | — | |
| Cyanide SCHEMBL1981650 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL9856415 | 0.62 | — | — | |
| SCHEMBL29195739 | 0.62 | — | — | |
| SCHEMBL4011609 | 0.61 | BRD4 (0.30) | — | |
| SCHEMBL12360461 | 0.61 | BRD4 (0.43) | — | |
| SCHEMBL48363 | 0.61 | — | — | |
| SCHEMBL58 | 0.61 | — | — | |
| SCHEMBL9020270 | 0.61 | — | — | |
| SCHEMBL18779 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4569928-A | UNSATURATED CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES | ROUSSEL UCLAF (FR) | 1986-02-11 | — | — | US | claimed |
| US-5532171-A | PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-07-02 | — | — | US | disclosed |
| US-5344928-A | Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-09-06 | — | — | US | disclosed |
| EP-0510668-A2 | Phenothiazine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-28 | — | — | EP | disclosed |
| US-4569928-A | UNSATURATED CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES | ROUSSEL UCLAF (FR) | 1986-02-11 | — | — | US | disclosed |
| US-4104284-A | Nitroanthraquinones | BAYER AKTIENGESELLSCHAFT (DE) | 1978-08-01 | — | — | US | disclosed |
| US-4013638-A | VULCANIZATION ACCELERATORS, OXIDATION INHIBITORS OF RUBBER | MONSANTO COMPANY (US) | 1977-03-22 | — | — | US | disclosed |
| US-3989450-A | DYEING AND PRINTING SYNTHETIC FIBERS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |