⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9886704 | 0.82 | LMNA (0.45) | — | |
| SCHEMBL13609508 | 0.82 | — | — | |
| SCHEMBL20910321 | 0.78 | — | — | |
| SCHEMBL20643419 | 0.78 | — | — | |
| SCHEMBL26028360 | 0.78 | OPRM1 (0.35) | — | |
| SCHEMBL18801018 | 0.76 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL20899240 | 0.76 | OPRM1 (0.39) | — | |
| SCHEMBL15256803 | 0.76 | LMNA (0.39) | — | |
| SCHEMBL15966054 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL20899159 | 0.76 | OPRM1 (0.39) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3388433-B1 | PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI SIMR BIOTECH CO LTD (CN) | 2023-08-30 | — | — | EP | disclosed |
| WO-2022255425-A1 | CONJUGATE OF ANTIBODY AND FUNCTIONAL SUBSTANCE OR SALT OF SAID CONJUGATE, AND COMPOUND FOR USE IN PRODUCTION OF SAID CONJUGATE OR SALT OF SAID COMPOUND | 味の素株式会社 | 2022-12-08 | — | — | WO | disclosed |
| US-11180614-B2 | Polysiloxane monomer and method for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-11-23 | — | — | US | disclosed |
| EP-3402782-B1 | 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-07-29 | — | — | EP | disclosed |
| US-20200148831-A1 | POLYSILOXANE MONOMER AND METHOD FOR PREPARING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-05-14 | — | — | US | disclosed |
| EP-0846679-B1 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS CO LTD (JP) | 2000-09-06 | — | — | EP | disclosed |
| US-5902899-A | Process for preparing 1, 3-disubstituted urea | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 1999-05-11 | — | — | US | disclosed |
| US-4877443-A | 2,4-diamino-6-trifluoromethylpyrimidine compounds useful as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-31 | — | — | US | disclosed |
| EP-0254183-A2 | 2,4-Diaminopyrimidines | BAYER AG (DE) | 1988-01-27 | — | — | EP | disclosed |
| EP-0230244-A2 | 2,4-Diamino-6-halogenoalkyl pyrimidines | BAYER AG (DE) | 1987-07-29 | — | — | EP | disclosed |