⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15901572 | 0.88 | LMNA (0.32) | — | |
| SCHEMBL14261830 | 0.88 | LMNA (0.32) | — | |
| SCHEMBL277999 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL20662072 | 0.84 | CYP2C19 (0.32) | — | |
| SCHEMBL24177628 | 0.82 | EPHX1 (0.44) | — | |
| SCHEMBL20878386 | 0.82 | EPHX1 (0.44) | — | |
| SCHEMBL841701 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4307349 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL18602680 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL15511379 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11071788-B2 | Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with antiB7H3-antibodies | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2021-07-27 | — | — | US | disclosed |
| US-20210206760-A1 | PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUND AND USE THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2021-07-08 | — | — | US | disclosed |
| US-20200138970-A1 | ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTIB7H3-ANTIBODIES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2020-05-07 | — | — | US | disclosed |